6B3F
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5PAS
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![BU of 5pas by Molmil](/molmil-images/mine/5pas) | Crystal Structure of Factor VIIa in complex with (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide | Descriptor: | (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | Deposit date: | 2016-11-10 | Release date: | 2017-06-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of a Factor VIIa complex To be published
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6B38
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6B3G
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3WC7
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![BU of 3wc7 by Molmil](/molmil-images/mine/3wc7) | Carboxypeptidase B in complex with EF6265 | Descriptor: | (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid, Carboxypeptidase B, ZINC ION | Authors: | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | Deposit date: | 2013-05-24 | Release date: | 2013-10-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme. J.Med.Chem., 56, 2013
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7TE3
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![BU of 7te3 by Molmil](/molmil-images/mine/7te3) | Crystal Structure of a Double Loop Deletion Mutant in gC1qR/C1qBP/HABP-1 | Descriptor: | Complement component 1 Q subcomponent-binding protein, mitochondrial | Authors: | Geisbrecht, B.V. | Deposit date: | 2022-01-04 | Release date: | 2022-06-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | gC1qR/C1qBP/HABP-1: Structural Analysis of the Trimeric Core Region, Interactions With a Novel Panel of Monoclonal Antibodies, and Their Influence on Binding to FXII. Front Immunol, 13, 2022
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6YA7
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![BU of 6ya7 by Molmil](/molmil-images/mine/6ya7) | Cdc7-Dbf4 bound to an Mcm2-S40 derived bivalent substrate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division cycle 7-related protein kinase,Cell division cycle 7-related protein kinase,Cell division cycle 7-related protein kinase, DNA replication licensing factor MCM2, ... | Authors: | Dick, S.D, Cherepanov, P. | Deposit date: | 2020-03-11 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Basis for the Activation and Target Site Specificity of CDC7 Kinase. Structure, 28, 2020
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7PZV
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![BU of 7pzv by Molmil](/molmil-images/mine/7pzv) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1S)-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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3W6E
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![BU of 3w6e by Molmil](/molmil-images/mine/3w6e) | Crystal structure of catalytic domain of chitinase from Ralstonia sp. A-471 (E162Q) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme-like chitinolytic enzyme | Authors: | Arimori, T, Kawamoto, N, Okazaki, N, Nakazawa, M, Miyatake, K, Fukamizo, T, Ueda, M, Tamada, T. | Deposit date: | 2013-02-14 | Release date: | 2013-05-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structures of the Catalytic Domain of a Novel Glycohydrolase Family 23 Chitinase from Ralstonia sp. A-471 Reveals a Unique Arrangement of the Catalytic Residues for Inverting Chitin Hydrolysis J.Biol.Chem., 288, 2013
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6B36
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6B3C
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4QIU
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6B3H
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![BU of 6b3h by Molmil](/molmil-images/mine/6b3h) | Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | Descriptor: | CHLORIDE ION, HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | Authors: | Su, H.P. | Deposit date: | 2017-09-21 | Release date: | 2018-01-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett, 8, 2017
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6SZY
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![BU of 6szy by Molmil](/molmil-images/mine/6szy) | Crystal structure of YTHDC1 with fragment 12 (DHU_DC1_150) | Descriptor: | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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7NT4
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![BU of 7nt4 by Molmil](/molmil-images/mine/7nt4) | X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 3, PROFLAVIN, ... | Authors: | Napolitano, V, Mourao, A, Bostock, M, Matsuda, A, Czarna, A, Popowicz, G.M. | Deposit date: | 2021-03-09 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses. Cell Chem Biol, 29, 2022
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6T6K
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![BU of 6t6k by Molmil](/molmil-images/mine/6t6k) | Y201W mutant of the orange carotenoid protein from Synechocystis at pH 6.5 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCINE, ... | Authors: | Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G. | Deposit date: | 2019-10-18 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein. Commun Biol, 4, 2021
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6T9U
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![BU of 6t9u by Molmil](/molmil-images/mine/6t9u) | Bovine Trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboximidamide (MI-490) | Descriptor: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... | Authors: | Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. | Deposit date: | 2019-10-28 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.067509 Å) | Cite: | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors Eur.J.Med.Chem., 2022
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7QGY
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![BU of 7qgy by Molmil](/molmil-images/mine/7qgy) | Human carbonic anhydrase II in complex with 3-((5-(ethoxycarbonyl)-4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | Descriptor: | 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, ZINC ION | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-12-10 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
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7QGX
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![BU of 7qgx by Molmil](/molmil-images/mine/7qgx) | Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | Descriptor: | 3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, MALONATE ION, ... | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-12-10 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
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7QGZ
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![BU of 7qgz by Molmil](/molmil-images/mine/7qgz) | Human carbonic anhydrase II in complex with Methyl 3-((4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoate | Descriptor: | Carbonic anhydrase 2, ZINC ION, methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-12-10 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
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3P9C
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![BU of 3p9c by Molmil](/molmil-images/mine/3p9c) | Crystal structure of perennial ryegrass LpOMT1 bound to SAH | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Louie, G.V, Noel, J.P, Bowman, M.E. | Deposit date: | 2010-10-17 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Function Analyses of a Caffeic Acid O-Methyltransferase from Perennial Ryegrass Reveal the Molecular Basis for Substrate Preference. Plant Cell, 22, 2010
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3P95
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7TWF
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7TWR
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7TWQ
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