7T03
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![BU of 7t03 by Molmil](/molmil-images/mine/7t03) | NMR structure of a designed cold unfolding four helix bundle | Descriptor: | Cold unfolding four helix bundle | Authors: | Pulavarti, S, Szyperski, T, Yuen, S, Maguire, J, Griffin, J, Kuhlman, B. | Deposit date: | 2021-11-29 | Release date: | 2022-03-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | From Protein Design to the Energy Landscape of a Cold Unfolding Protein. J.Phys.Chem.B, 126, 2022
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5AHA
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![BU of 5aha by Molmil](/molmil-images/mine/5aha) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | Descriptor: | (3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | Deposit date: | 2015-02-05 | Release date: | 2015-05-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
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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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5AHC
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![BU of 5ahc by Molmil](/molmil-images/mine/5ahc) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | Descriptor: | (3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | Deposit date: | 2015-02-05 | Release date: | 2015-05-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
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8DJU
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![BU of 8dju by Molmil](/molmil-images/mine/8dju) | Cytosolic ascorbate peroxidase from Sorghum bicolor - bicyclic dehydroascorbic acid complex | Descriptor: | (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name), L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Zhang, B, Kang, C. | Deposit date: | 2022-07-01 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids. Plant Physiol., 192, 2023
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1GGN
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![BU of 1ggn by Molmil](/molmil-images/mine/1ggn) | Structures of glycogen phosphorylase-inhibitor complexes and the implications for structure-based drug design | Descriptor: | BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE | Authors: | Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N. | Deposit date: | 2000-08-29 | Release date: | 2000-09-13 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Kinetic and crystallographic studies of glucopyranosylidene spirothiohydantoin binding to glycogen phosphorylase B. Bioorg.Med.Chem., 10, 2002
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5AH9
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![BU of 5ah9 by Molmil](/molmil-images/mine/5ah9) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | Descriptor: | (3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Enstrom, O, Unge, J. | Deposit date: | 2015-02-05 | Release date: | 2015-05-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
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5A8P
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![BU of 5a8p by Molmil](/molmil-images/mine/5a8p) | Crystal structure beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide B | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L. | Deposit date: | 2015-07-16 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans J.Biol.Chem., 291, 2016
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6TGJ
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6C0B
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![BU of 6c0b by Molmil](/molmil-images/mine/6c0b) | Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ... | Authors: | Chen, P, Lam, K, Jin, R. | Deposit date: | 2017-12-28 | Release date: | 2018-05-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B. Science, 360, 2018
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6BLR
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![BU of 6blr by Molmil](/molmil-images/mine/6blr) | Crystal Structure of IAg7 in complex with insulin mimotope p8E9E6SS | Descriptor: | 1,2-ETHANEDIOL, H2-Ab1 protein, IAg7 alpha chain | Authors: | Wang, Y, Dai, S. | Deposit date: | 2017-11-11 | Release date: | 2017-12-20 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4M40
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![BU of 4m40 by Molmil](/molmil-images/mine/4m40) | Crystal structure of hemagglutinin of influenza virus B/Yamanashi/166/1998 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | Ni, F, Kondrashkina, E, Wang, Q. | Deposit date: | 2013-08-06 | Release date: | 2013-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.54 Å) | Cite: | Structural basis for the divergent evolution of influenza B virus hemagglutinin. Virology, 446, 2013
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7U4N
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![BU of 7u4n by Molmil](/molmil-images/mine/7u4n) | Crystal structure of human GPX4-U46C in complex with RSL3 | Descriptor: | Phospholipid hydroperoxide glutathione peroxidase, methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R. | Deposit date: | 2022-02-28 | Release date: | 2022-12-07 | Last modified: | 2022-12-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
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6I7R
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3P70
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![BU of 3p70 by Molmil](/molmil-images/mine/3p70) | Structural basis of thrombin-mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, ... | Authors: | Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P. | Deposit date: | 2010-10-11 | Release date: | 2011-09-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction. Blood, 117, 2011
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6N0P
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5D94
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![BU of 5d94 by Molmil](/molmil-images/mine/5d94) | Crystal structure of LC3-LIR peptide complex | Descriptor: | Microtubule-associated proteins 1A/1B light chain 3B, Peptide from FYVE and coiled-coil domain-containing protein 1 | Authors: | Takagi, K, Mizushima, T, Johansen, T. | Deposit date: | 2015-08-18 | Release date: | 2015-10-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | FYCO1 Contains a C-terminally Extended, LC3A/B-preferring LC3-interacting Region (LIR) Motif Required for Efficient Maturation of Autophagosomes during Basal Autophagy J.Biol.Chem., 290, 2015
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7WEC
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7WEA
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![BU of 7wea by Molmil](/molmil-images/mine/7wea) | |
7WE8
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![BU of 7we8 by Molmil](/molmil-images/mine/7we8) | SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv265 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 265, ... | Authors: | Wang, X, Wang, L. | Deposit date: | 2021-12-23 | Release date: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants. Nature, 603, 2022
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7WEB
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7WE9
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![BU of 7we9 by Molmil](/molmil-images/mine/7we9) | SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv289 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Wang, X, Wang, L. | Deposit date: | 2021-12-23 | Release date: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants. Nature, 603, 2022
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1RR8
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![BU of 1rr8 by Molmil](/molmil-images/mine/1rr8) | Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ... | Authors: | Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R. | Deposit date: | 2003-12-08 | Release date: | 2004-07-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanisms of camptothecin resistance by human topoisomerase I mutations J.Mol.Biol., 339, 2004
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4NRK
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![BU of 4nrk by Molmil](/molmil-images/mine/4nrk) | Structure of hemagglutinin with F95Y mutation of influenza virus B/Lee/40 complex with LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Ni, F, Mbawuike, I.N, Kondrashkina, E, Wang, Q. | Deposit date: | 2013-11-26 | Release date: | 2014-03-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | The roles of hemagglutinin Phe-95 in receptor binding and pathogenicity of influenza B virus. Virology, 450-451, 2014
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6ME9
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![BU of 6me9 by Molmil](/molmil-images/mine/6me9) | XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon | Descriptor: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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