7LJD
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![BU of 7ljd by Molmil](/molmil-images/mine/7ljd) | Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | Deposit date: | 2021-01-28 | Release date: | 2021-03-03 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor. Cell Res., 31, 2021
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6NSQ
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![BU of 6nsq by Molmil](/molmil-images/mine/6nsq) | Crystal structure of BRAF kinase domain bound to the inhibitor 2l | Descriptor: | 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Zhang, C, Sicheri, F. | Deposit date: | 2019-01-25 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases. Acs Med.Chem.Lett., 10, 2019
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5DAY
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![BU of 5day by Molmil](/molmil-images/mine/5day) | The structure of NAP1-Related Protein(NRP1) in Arabidopsis | Descriptor: | CALCIUM ION, NAP1-related protein 1 | Authors: | Zhu, Y, Rong, L, Yang, Y, Zhang, C, Feng, H.Y, Zheng, L.N, Shen, W.H, Ma, J.B, Dong, A.W. | Deposit date: | 2015-08-20 | Release date: | 2016-09-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.329 Å) | Cite: | The structure of NAP1-Related Protein(NRP1) in Arabidopsis To Be Published
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6NT8
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![BU of 6nt8 by Molmil](/molmil-images/mine/6nt8) | Cryo-EM structure of full-length chicken STING in the cGAMP-bound tetrameric state | Descriptor: | Stimulator of interferon genes protein, cGAMP | Authors: | Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X. | Deposit date: | 2019-01-28 | Release date: | 2019-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP. Nature, 567, 2019
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6ODB
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![BU of 6odb by Molmil](/molmil-images/mine/6odb) | Crystal structure of HDAC8 in complex with compound 3 | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6ODC
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![BU of 6odc by Molmil](/molmil-images/mine/6odc) | Crystal structure of HDAC8 in complex with compound 30 | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6ODA
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![BU of 6oda by Molmil](/molmil-images/mine/6oda) | Crystal structure of HDAC8 in complex with compound 2 | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6PGI
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![BU of 6pgi by Molmil](/molmil-images/mine/6pgi) | Asymmetric functions of a binuclear metal cluster within the transport pathway of the ZIP transition metal transporters | Descriptor: | BbZIP, CADMIUM ION | Authors: | Zhang, T, Sui, D, Zhang, C, Logan, T, Hu, J. | Deposit date: | 2019-06-24 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Asymmetric functions of a binuclear metal center within the transport pathway of a human zinc transporter ZIP4. Faseb J., 34, 2020
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7JVQ
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![BU of 7jvq by Molmil](/molmil-images/mine/7jvq) | Cryo-EM structure of apomorphine-bound dopamine receptor 1 in complex with Gs protein | Descriptor: | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
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7JVP
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![BU of 7jvp by Molmil](/molmil-images/mine/7jvp) | Cryo-EM structure of SKF-83959-bound dopamine receptor 1 in complex with Gs protein | Descriptor: | (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
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7JV5
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![BU of 7jv5 by Molmil](/molmil-images/mine/7jv5) | Cryo-EM structure of SKF-81297-bound dopamine receptor 1 in complex with Gs protein | Descriptor: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-20 | Release date: | 2021-02-24 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
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7JVR
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![BU of 7jvr by Molmil](/molmil-images/mine/7jvr) | Cryo-EM structure of Bromocriptine-bound dopamine receptor 2 in complex with Gi protein | Descriptor: | Antibody fragment ScFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
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5Z9J
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![BU of 5z9j by Molmil](/molmil-images/mine/5z9j) | Identification of the functions of unusual cytochrome p450-like monooxygenases involved in microbial secondary metablism | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like enzyme, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Lu, M, Lin, L, Zhang, C, Chen, Y. | Deposit date: | 2018-02-03 | Release date: | 2019-02-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Riboflavin Is Directly Involved in the N-Dealkylation Catalyzed by Bacterial Cytochrome P450 Monooxygenases. Chembiochem, 2020
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5Z9I
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8G05
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![BU of 8g05 by Molmil](/molmil-images/mine/8g05) | Cryo-EM structure of an orphan GPCR-Gi protein signaling complex | Descriptor: | 6-(octylamino)pyrimidine-2,4(3H,5H)-dione, CHOLESTEROL, G-protein coupled receptor 84, ... | Authors: | Zhang, X, Wang, Y.J, Li, X, Liu, G.B, Gong, W.M, Zhang, C. | Deposit date: | 2023-01-31 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Pro-phagocytic function and structural basis of GPR84 signaling. Nat Commun, 14, 2023
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4HQX
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![BU of 4hqx by Molmil](/molmil-images/mine/4hqx) | CRYSTAL STRUCTURE OF HUMAN PDGF-BB IN COMPLEX WITH A Modified nucleotide aptamer (SOMAmer SL4) | Descriptor: | MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ... | Authors: | Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C. | Deposit date: | 2012-10-26 | Release date: | 2012-11-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets. Proc.Natl.Acad.Sci.USA, 109, 2012
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4HQU
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![BU of 4hqu by Molmil](/molmil-images/mine/4hqu) | Crystal structure of human PDGF-BB in complex with a modified nucleotide aptamer (SOMAmer SL5) | Descriptor: | MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ... | Authors: | Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C. | Deposit date: | 2012-10-26 | Release date: | 2012-11-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets. Proc.Natl.Acad.Sci.USA, 109, 2012
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4GO3
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![BU of 4go3 by Molmil](/molmil-images/mine/4go3) | |
4GO4
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![BU of 4go4 by Molmil](/molmil-images/mine/4go4) | Crystal structure of PnpE in complex with Nicotinamide adenine dinucleotide | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative gamma-hydroxymuconic semialdehyde dehydrogenase | Authors: | Su, J, Zhang, C, Liu, S, Zhu, D, Gu, L. | Deposit date: | 2012-08-18 | Release date: | 2013-09-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.099 Å) | Cite: | Crystal structure of PnpE in complex with Nicotinamide adenine dinucleotide To be Published
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2KLH
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![BU of 2klh by Molmil](/molmil-images/mine/2klh) | NMR Structure of RCL in complex with GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, c-Myc-responsive protein Rcl | Authors: | Padilla, A, Yang, Y, Labesse, G, Zhang, C, Kaminski, P.A. | Deposit date: | 2009-07-02 | Release date: | 2009-10-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural characterization of the mammalian deoxynucleotide N-hydrolase Rcl and its stabilizing interactions with two inhibitors J.Mol.Biol., 394, 2009
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3PDS
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![BU of 3pds by Molmil](/molmil-images/mine/3pds) | Irreversible Agonist-Beta2 Adrenoceptor Complex | Descriptor: | 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ... | Authors: | Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K. | Deposit date: | 2010-10-24 | Release date: | 2011-01-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure and function of an irreversible agonist-beta(2) adrenoceptor complex Nature, 469, 2011
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6C1Q
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![BU of 6c1q by Molmil](/molmil-images/mine/6c1q) | Crystal structure of human C5a receptor in complex with an orthosteric antagonist PMX53 and an allosteric antagonist NDT9513727 | Descriptor: | 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine, PMX53, Soluble cytochrome b562, ... | Authors: | Liu, H, Wang, L, Wei, Z, Zhang, C. | Deposit date: | 2018-01-05 | Release date: | 2018-05-30 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Orthosteric and allosteric action of the C5a receptor antagonists. Nat. Struct. Mol. Biol., 25, 2018
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6C1R
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![BU of 6c1r by Molmil](/molmil-images/mine/6c1r) | Crystal structure of human C5a receptor in complex with an orthosteric antagonist PMX53 and an allosteric antagonist avacopan | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MALONATE ION, OLEIC ACID, ... | Authors: | Liu, H, Wang, L, Wei, Z, Zhang, C. | Deposit date: | 2018-01-05 | Release date: | 2018-05-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Orthosteric and allosteric action of the C5a receptor antagonists. Nat. Struct. Mol. Biol., 25, 2018
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6PT0
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![BU of 6pt0 by Molmil](/molmil-images/mine/6pt0) | Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2 | Descriptor: | CHOLESTEROL, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, T.H, Xing, C, Zhuang, Y, Feng, Z, Zhou, X.E, Chen, M, Wang, L, Meng, X, Xue, Y, Wang, J, Liu, H, McGuire, T, Zhao, G, Melcher, K, Zhang, C, Xu, H.E, Xie, X.Q. | Deposit date: | 2019-07-14 | Release date: | 2020-02-12 | Last modified: | 2020-03-04 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM Structure of the Human Cannabinoid Receptor CB2-GiSignaling Complex. Cell, 180, 2020
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6D26
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![BU of 6d26 by Molmil](/molmil-images/mine/6d26) | Crystal structure of the prostaglandin D2 receptor CRTH2 with fevipiprant | Descriptor: | OLEIC ACID, Prostaglandin D2 receptor 2, Endolysin chimera, ... | Authors: | Wang, L, Yao, D, Deepak, K, Liu, H, Gong, W, Fan, H, Wei, Z, Zhang, C. | Deposit date: | 2018-04-13 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.798 Å) | Cite: | Structures of the Human PGD2Receptor CRTH2 Reveal Novel Mechanisms for Ligand Recognition. Mol. Cell, 72, 2018
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