5FVY
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![BU of 5fvy by Molmil](/molmil-images/mine/5fvy) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl) ethyl)pyridin-2-amine | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2016-02-10 | Release date: | 2016-04-20 | Last modified: | 2016-06-08 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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5FPA
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5FVR
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![BU of 5fvr by Molmil](/molmil-images/mine/5fvr) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-METHYL-6-(2-(5-(1-METHYLPIPERIDIN-4-YL)PYRIDIN-3-YL) ETHYL)PYRIDIN-2-AMINE | Descriptor: | 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2016-02-10 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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1ETL
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1ETM
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7JJP
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![BU of 7jjp by Molmil](/molmil-images/mine/7jjp) | Sheep Connexin-50 at 1.9 angstroms resolution by CryoEM | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein | Authors: | Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L. | Deposit date: | 2020-07-27 | Release date: | 2020-09-09 | Method: | ELECTRON MICROSCOPY (1.94 Å) | Cite: | Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom. Nat Commun, 11, 2020
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1DZE
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![BU of 1dze by Molmil](/molmil-images/mine/1dze) | Structure of the M Intermediate of Bacteriorhodopsin trapped at 100K | Descriptor: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL, ... | Authors: | Takeda, K, Matsui, Y, Sato, H, Hino, T, Kanamori, E, Okumura, H, Yamane, T, Iizuka, T, Kamiya, N, Adachi, S, Kouyama, T. | Deposit date: | 2000-02-25 | Release date: | 2000-08-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the M Intermediate of Bacteriorhodopsin: Allosteric Structural Changes Mediated by Sliding Movement of a Transmembrane Helix J.Mol.Biol., 341, 2004
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1DXK
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5L8A
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![BU of 5l8a by Molmil](/molmil-images/mine/5l8a) | Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases. | Descriptor: | 1,2-ETHANEDIOL, 1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, GLYCINE, ... | Authors: | Dawidowski, M, Emmanouilidis, L, Sattler, M, Popowicz, G.M. | Deposit date: | 2016-06-07 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites. Science, 355, 2017
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7GRR
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![BU of 7grr by Molmil](/molmil-images/mine/7grr) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-14 | Descriptor: | 3C-like proteinase nsp5, 5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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6X7Q
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![BU of 6x7q by Molmil](/molmil-images/mine/6x7q) | Chloramphenicol acetyltransferase type III in complex with chloramphenicol and acetyl-oxa(dethia)-CoA | Descriptor: | CHLORAMPHENICOL, Chloramphenicol acetyltransferase 3, DI(HYDROXYETHYL)ETHER, ... | Authors: | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | Deposit date: | 2020-05-30 | Release date: | 2021-06-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA Acta Crystallogr.,Sect.F, 2023
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1CFE
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![BU of 1cfe by Molmil](/molmil-images/mine/1cfe) | P14A, NMR, 20 STRUCTURES | Descriptor: | PATHOGENESIS-RELATED PROTEIN P14A | Authors: | Fernandez, C, Szyperski, T, Bruyere, T, Ramage, P, Mosinger, E, Wuthrich, K. | Deposit date: | 1996-11-08 | Release date: | 1997-11-12 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | NMR solution structure of the pathogenesis-related protein P14a. J.Mol.Biol., 266, 1997
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5FLL
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![BU of 5fll by Molmil](/molmil-images/mine/5fll) | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW) from Bacillus subtilis in complex with a Pimeloyl-adenylate | Descriptor: | 6-CARBOXYHEXANOATE-COA LIGASE, MAGNESIUM ION, PIMELOYL-AMP, ... | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | Deposit date: | 2015-10-26 | Release date: | 2016-11-16 | Last modified: | 2018-06-13 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters. Nat. Chem. Biol., 13, 2017
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5I6E
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![BU of 5i6e by Molmil](/molmil-images/mine/5i6e) | Crystal structure of the central domain of yeast acetyl-CoA carboxylase | Descriptor: | Acetyl-CoA carboxylase, MALONATE ION | Authors: | Hunkeler, M, Stuttfeld, E, Hagmann, A, Imseng, S, Maier, T. | Deposit date: | 2016-02-16 | Release date: | 2016-04-20 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The dynamic organization of fungal acetyl-CoA carboxylase. Nat Commun, 7, 2016
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5JH5
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![BU of 5jh5 by Molmil](/molmil-images/mine/5jh5) | Structural Basis for the Hierarchical Assembly of the Core of PRC1.1 | Descriptor: | BCL-6 corepressor-like protein 1, Lysine-specific demethylase 2B, Polycomb group RING finger protein 1, ... | Authors: | Wong, S.J, Taylor, A.B, Hart, P.J, Kim, C.A. | Deposit date: | 2016-04-20 | Release date: | 2016-09-14 | Last modified: | 2016-10-19 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | KDM2B Recruitment of the Polycomb Group Complex, PRC1.1, Requires Cooperation between PCGF1 and BCORL1. Structure, 24, 2016
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1ESD
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![BU of 1esd by Molmil](/molmil-images/mine/1esd) | THE MOLECULAR MECHANISM OF ENANTIORECOGNITION BY ESTERASES | Descriptor: | ESTERASE, METHYLPHOSPHONIC ACID ESTER GROUP | Authors: | Wei, Y, Schottel, J.L, Derewenda, U, Swenson, L, Patkar, S, Derewenda, Z.S. | Deposit date: | 1994-10-07 | Release date: | 1995-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A novel variant of the catalytic triad in the Streptomyces scabies esterase. Nat.Struct.Biol., 2, 1995
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1ESE
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![BU of 1ese by Molmil](/molmil-images/mine/1ese) | THE MOLECULAR MECHANISM OF ENANTIORECOGNITION BY ESTERASES | Descriptor: | DIETHYL PHOSPHONATE, ESTERASE | Authors: | Wei, Y, Schottel, J.L, Derewenda, U, Swenson, L, Patkar, S, Derewenda, Z.S. | Deposit date: | 1994-10-07 | Release date: | 1995-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A novel variant of the catalytic triad in the Streptomyces scabies esterase. Nat.Struct.Biol., 2, 1995
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1CKE
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![BU of 1cke by Molmil](/molmil-images/mine/1cke) | CMP KINASE FROM ESCHERICHIA COLI FREE ENZYME STRUCTURE | Descriptor: | PROTEIN (CYTIDINE MONOPHOSPHATE KINASE), SULFATE ION | Authors: | Briozzo, P, Golinelli-Pimpaneau, B. | Deposit date: | 1998-09-24 | Release date: | 1999-09-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of escherichia coli CMP kinase alone and in complex with CDP: a new fold of the nucleoside monophosphate binding domain and insights into cytosine nucleotide specificity. Structure, 6, 1998
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5FDZ
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![BU of 5fdz by Molmil](/molmil-images/mine/5fdz) | Crystal structure of human PCAF bromodomain in complex with compound BDOMB00091a (compound 14) | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase KAT2B, ~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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1CQE
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![BU of 1cqe by Molmil](/molmil-images/mine/1cqe) | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEX WITH FLURBIPROFEN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN, PROTEIN (PROSTAGLANDIN H2 SYNTHASE-1), ... | Authors: | Picot, D, Loll, P.J, Mulichak, A.M, Garavito, R.M. | Deposit date: | 1999-06-15 | Release date: | 1999-06-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The X-ray crystal structure of the membrane protein prostaglandin H2 synthase-1. Nature, 367, 1994
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1CTN
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![BU of 1ctn by Molmil](/molmil-images/mine/1ctn) | CRYSTAL STRUCTURE OF A BACTERIAL CHITINASE AT 2.3 ANGSTROMS RESOLUTION | Descriptor: | CHITINASE A | Authors: | Perrakis, A, Tews, I, Dauter, Z, Wilson, K.S, Vorgias, C.E. | Deposit date: | 1994-10-10 | Release date: | 1995-02-07 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a bacterial chitinase at 2.3 A resolution. Structure, 2, 1994
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7JM9
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![BU of 7jm9 by Molmil](/molmil-images/mine/7jm9) | Sheep Connexin-50 at 2.5 angstroms reoslution, Lipid Class 2 | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein | Authors: | Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.A, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L. | Deposit date: | 2020-07-31 | Release date: | 2020-09-09 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom. Nat Commun, 11, 2020
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7GLZ
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![BU of 7glz by Molmil](/molmil-images/mine/7glz) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-5cd9ea36-14 (Mpro-P2067) | Descriptor: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.678 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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5HKK
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![BU of 5hkk by Molmil](/molmil-images/mine/5hkk) | Caldalaklibacillus thermarum F1-ATPase (wild type) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Ferguson, S.A, Cook, G.M, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2016-01-14 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Regulation of the thermoalkaliphilic F1-ATPase from Caldalkalibacillus thermarum. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IFW
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![BU of 5ifw by Molmil](/molmil-images/mine/5ifw) | |