8WAU
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![BU of 8wau by Molmil](/molmil-images/mine/8wau) | De novo transcribing complex 11 (TC11), the early elongation complex with Pol II positioned 11nt downstream of TSS | Descriptor: | Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | Authors: | Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y. | Deposit date: | 2023-09-08 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Structural visualization of transcription initiation in action. Science, 382, 2023
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8WAR
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![BU of 8war by Molmil](/molmil-images/mine/8war) | Structure of transcribing complex 8 (TC8), the initially transcribing complex with Pol II positioned 8nt downstream of TSS. | Descriptor: | Alpha-amanitin, CDK-activating kinase assembly factor MAT1, DNA-directed RNA polymerase II subunit E, ... | Authors: | Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y. | Deposit date: | 2023-09-08 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Structural visualization of transcription initiation in action. Science, 382, 2023
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5GM9
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![BU of 5gm9 by Molmil](/molmil-images/mine/5gm9) | Crystal structure of a glycoside hydrolase in complex with cellobiose | Descriptor: | Glycoside hydrolase family 45 protein, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Gao, J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-07-13 | Release date: | 2017-04-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Characterization and crystal structure of a thermostable glycoside hydrolase family 45 1,4-beta-endoglucanase from Thielavia terrestris Enzyme Microb. Technol., 99, 2017
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3OE9
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![BU of 3oe9 by Molmil](/molmil-images/mine/3oe9) | Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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6K7U
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![BU of 6k7u by Molmil](/molmil-images/mine/6k7u) | Crystal structure of beta-2 microglobulin (beta2m) of Bat (Pteropus Alecto) | Descriptor: | Bat beta-2-microglobulin | Authors: | Lu, D, Liu, K.F, Zhang, D, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, F.G, Liu, W.J. | Deposit date: | 2019-06-08 | Release date: | 2019-09-18 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats. Plos Biol., 17, 2019
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3ODU
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![BU of 3odu by Molmil](/molmil-images/mine/3odu) | The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule antagonist IT1t | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-11 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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5GLY
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![BU of 5gly by Molmil](/molmil-images/mine/5gly) | Crystal structure of a glycoside hydrolase in complex with cellotetrose from Thielavia terrestris NRRL 8126 | Descriptor: | Glycoside hydrolase family 45 protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Gao, J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-07-12 | Release date: | 2017-04-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Characterization and crystal structure of a thermostable glycoside hydrolase family 45 1,4-beta-endoglucanase from Thielavia terrestris Enzyme Microb. Technol., 99, 2017
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5Z97
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![BU of 5z97 by Molmil](/molmil-images/mine/5z97) | Crystal structure of a lactonase double mutant in complex with ligand N | Descriptor: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Lactonase for protein, SULFATE ION | Authors: | Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-02-02 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity Acs Catalysis, 8, 2018
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4ANS
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![BU of 4ans by Molmil](/molmil-images/mine/4ans) | Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A. | Deposit date: | 2012-03-22 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib To be Published
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5Z5J
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![BU of 5z5j by Molmil](/molmil-images/mine/5z5j) | Crystal structure of a lactonase double mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, Lactonase for protein | Authors: | Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-01-18 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity Acs Catalysis, 8, 2018
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3OE6
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![BU of 3oe6 by Molmil](/molmil-images/mine/3oe6) | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in I222 spacegroup | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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3OE8
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![BU of 3oe8 by Molmil](/molmil-images/mine/3oe8) | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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4ZIX
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![BU of 4zix by Molmil](/molmil-images/mine/4zix) | Structure of HEWL using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Fromme, R, Ishchenko, A, Metz, M, Roy-Chowdhury, S, Basu, S, Boutet, S, Fromme, P, White, T.A, Barty, A, Spence, J.C.H, Weierstall, U, Liu, W, Cherezov, V. | Deposit date: | 2015-04-28 | Release date: | 2015-08-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase IUCrJ, 2, 2015
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6IHH
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![BU of 6ihh by Molmil](/molmil-images/mine/6ihh) | Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2018-09-30 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase. Nat Catal, 2, 2019
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6M53
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![BU of 6m53 by Molmil](/molmil-images/mine/6m53) | Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum | Descriptor: | 2,3-dihydroxybenzoate decarboxylase, GLYCEROL, ZINC ION | Authors: | Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2020-03-09 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism. Chembiochem, 21, 2020
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5ABD
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![BU of 5abd by Molmil](/molmil-images/mine/5abd) | CRYSTAL STRUCTURE OF VEGFR-1 DOMAIN 2 IN PRESENCE OF CU | Descriptor: | COPPER (II) ION, SODIUM ION, SULFATE ION, ... | Authors: | Gaucher, J.-F, Lascombe, M.-B, Reille-Seroussi, M, Gagey-Eilstein, N, Broussy, S, Coric, P, Seijo, B, Gautier, B, Liu, W.-Q, Huguenot, F, Inguimbert, N, Bouaziz, S, Vidal, M, Broutin, I. | Deposit date: | 2015-08-05 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Biophysical Studies of the Induced Dimerization of Human Vegf R Receptor 1 Binding Domain by Divalent Metals Competing with Vegf-A Plos One, 11, 2016
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6ME2
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![BU of 6me2 by Molmil](/molmil-images/mine/6me2) | XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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6ME4
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![BU of 6me4 by Molmil](/molmil-images/mine/6me4) | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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7DYN
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![BU of 7dyn by Molmil](/molmil-images/mine/7dyn) | Phosphorylation of MHC I peptide | Descriptor: | ARG-ARG-PHE-SEP-ARG-SEP-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen | Authors: | Sun, M.W, Feng, L, Qi, J.X, Liu, W.J. | Deposit date: | 2021-01-22 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules. Iscience, 25, 2022
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6A99
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![BU of 6a99 by Molmil](/molmil-images/mine/6a99) | Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole | Descriptor: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-12 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6ADU
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![BU of 6adu by Molmil](/molmil-images/mine/6adu) | Crystal structure of an enzyme in complex with ligand C | Descriptor: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-08-02 | Release date: | 2019-08-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement. Angew.Chem.Int.Ed.Engl., 57, 2018
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6M9T
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![BU of 6m9t by Molmil](/molmil-images/mine/6m9t) | Crystal structure of EP3 receptor bound to misoprostol-FA | Descriptor: | (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, ... | Authors: | Audet, M, White, K.L, Breton, B, Zarzycka, B, Han, G.W, Lu, Y, Gati, C, Batyuk, A, Popov, P, Velasquez, J, Manahan, D, Hu, H, Weierstall, U, Liu, W, Shui, W, Katrich, V, Cherezov, V, Hanson, M.A, Stevens, R.C. | Deposit date: | 2018-08-24 | Release date: | 2018-12-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of misoprostol bound to the labor inducer prostaglandin E2receptor. Nat. Chem. Biol., 15, 2019
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6ME3
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![BU of 6me3 by Molmil](/molmil-images/mine/6me3) | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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6ME5
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![BU of 6me5 by Molmil](/molmil-images/mine/6me5) | XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine | Descriptor: | OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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5YPI
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![BU of 5ypi by Molmil](/molmil-images/mine/5ypi) | Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI1 complex | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Feng, H, Wang, D, Liu, W. | Deposit date: | 2017-11-01 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis. Nat Commun, 8, 2017
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