6S3T
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![BU of 6s3t by Molmil](/molmil-images/mine/6s3t) | P46, an immunodominant surface protein from Mycoplasma hyopneumoniae | Descriptor: | 46 kDa surface antigen, Immunoglobulin heavy chain, Immunoglobulin light chain, ... | Authors: | Guasch, A, Gonzalez-Gonzalez, L, Fita, I. | Deposit date: | 2019-06-26 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of P46, an immunodominant surface protein from Mycoplasma hyopneumoniae: interaction with a monoclonal antibody. Acta Crystallogr D Struct Biol, 76, 2020
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6RQG
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![BU of 6rqg by Molmil](/molmil-images/mine/6rqg) | |
6RUX
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![BU of 6rux by Molmil](/molmil-images/mine/6rux) | P46, an immunodominant surface protein from Mycoplasma hyopneumoniae | Descriptor: | 46 kDa surface antigen, SODIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Guasch, A, Gonzalez-Gonzalez, L, Fita, I. | Deposit date: | 2019-05-29 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of P46, an immunodominant surface protein from Mycoplasma hyopneumoniae: interaction with a monoclonal antibody. Acta Crystallogr D Struct Biol, 76, 2020
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5XLG
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![BU of 5xlg by Molmil](/molmil-images/mine/5xlg) | Crystal structure of anaerobically purified and aerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE3-S4 CLUSTER, ... | Authors: | Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y. | Deposit date: | 2017-05-10 | Release date: | 2018-06-06 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2. J. Inorg. Biochem., 177, 2017
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6UMH
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![BU of 6umh by Molmil](/molmil-images/mine/6umh) | Crystal structure of erenumab Fab-a | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-PROPANDIOL, PHOSPHATE ION, ... | Authors: | Mohr, C. | Deposit date: | 2019-10-09 | Release date: | 2020-02-12 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab). Cell Rep, 30, 2020
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5XLH
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![BU of 5xlh by Molmil](/molmil-images/mine/5xlh) | Crystal structure of aerobically purified and aerobically crystallized for 12weeks D. vulgaris Miyazaki F [NiFe]-hydrogenase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y. | Deposit date: | 2017-05-10 | Release date: | 2018-06-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2. J. Inorg. Biochem., 177, 2017
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6HUJ
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![BU of 6huj by Molmil](/molmil-images/mine/6huj) | CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with picrotoxin, GABA and megabody Mb38. | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-08 | Release date: | 2019-01-02 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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5XLE
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![BU of 5xle by Molmil](/molmil-images/mine/5xle) | Crystal structure of anaerobically purified and anaerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE3-S4 CLUSTER, ... | Authors: | Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y. | Deposit date: | 2017-05-10 | Release date: | 2018-06-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2. J. Inorg. Biochem., 177, 2017
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6HUP
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![BU of 6hup by Molmil](/molmil-images/mine/6hup) | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with diazepam (Valium), GABA and megabody Mb38. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-09 | Release date: | 2019-01-02 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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1I8G
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![BU of 1i8g by Molmil](/molmil-images/mine/1i8g) | SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH CDC25 PHOSPHOTHREONINE PEPTIDE | Descriptor: | M-PHASE INDUCER PHOSPHATASE 3, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Wintjens, R, Wieruszeski, J.-M, Drobecq, H, Lippens, G, Landrieu, I. | Deposit date: | 2001-03-14 | Release date: | 2001-07-18 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | 1H NMR study on the binding of Pin1 Trp-Trp domain with phosphothreonine peptides. J.Biol.Chem., 276, 2001
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5K35
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![BU of 5k35 by Molmil](/molmil-images/mine/5k35) | Structure of the Legionella effector, AnkB, in complex with human Skp1 | Descriptor: | Ankyrin-repeat protein B, S-phase kinase-associated protein 1 | Authors: | Wong, K, Kozlov, G, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2016-05-19 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural Mimicry by a Bacterial F Box Effector Hijacks the Host Ubiquitin-Proteasome System. Structure, 25, 2017
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1DAG
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![BU of 1dag by Molmil](/molmil-images/mine/1dag) | DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID AND 5'-ADENOSYL-METHYLENE-TRIPHOSPHATE | Descriptor: | 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, DETHIOBIOTIN SYNTHETASE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Huang, W, Jia, J, Schneider, G, Lindqvist, Y. | Deposit date: | 1995-05-08 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate. Biochemistry, 34, 1995
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5TI5
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![BU of 5ti5 by Molmil](/molmil-images/mine/5ti5) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841880 | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4 | Authors: | Zhu, J.-Y, Ember, S.W.J, Schonbrunn, E. | Deposit date: | 2016-10-01 | Release date: | 2017-08-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations. ACS Omega, 2, 2017
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5TI6
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![BU of 5ti6 by Molmil](/molmil-images/mine/5ti6) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841881 | Descriptor: | 1,2-ETHANEDIOL, 2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4 | Authors: | Zhu, J.-Y, Ember, S.W.J, Schonbrunn, E. | Deposit date: | 2016-10-01 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations. ACS Omega, 2, 2017
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8POT
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![BU of 8pot by Molmil](/molmil-images/mine/8pot) | Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole cmpd9 in the editing conformation | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, [(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate, ... | Authors: | Palencia, A, Hoffmann, G. | Deposit date: | 2023-07-05 | Release date: | 2024-06-12 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Targeting a microbiota Wolbachian aminoacyl-tRNA synthetase to block its pathogenic host. Sci Adv, 10, 2024
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1YIP
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![BU of 1yip by Molmil](/molmil-images/mine/1yip) | Oxidized Peptidylglycine Alpha-Hydroxylating Monooxygenase (PHM) in a New Crystal Form | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Siebert, X, Eipper, B.A, Mains, R.E, Prigge, S.T, Blackburn, N.J, Amzel, L.M. | Deposit date: | 2005-01-12 | Release date: | 2005-11-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Catalytic Copper of Peptidylglycine alpha-Hydroxylating Monooxygenase also Plays a Critical Structural Role. Biophys.J., 89, 2005
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2CGV
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![BU of 2cgv by Molmil](/molmil-images/mine/2cgv) | Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening | Descriptor: | (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2006-03-09 | Release date: | 2006-04-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening. Bioorg.Med.Chem., 14, 2006
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2CGW
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![BU of 2cgw by Molmil](/molmil-images/mine/2cgw) | Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening | Descriptor: | 4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,5-DIYL)BIS(2,5-DIHYDRO-1,2,5-OXADIAZOL-3-AMINE), SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2006-03-09 | Release date: | 2006-04-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening. Bioorg.Med.Chem., 14, 2006
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2CGU
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![BU of 2cgu by Molmil](/molmil-images/mine/2cgu) | Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening | Descriptor: | 2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2006-03-09 | Release date: | 2006-04-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening. Bioorg.Med.Chem., 14, 2006
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5TI4
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![BU of 5ti4 by Molmil](/molmil-images/mine/5ti4) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841871 | Descriptor: | 1,2-ETHANEDIOL, 3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4 | Authors: | Zhu, J.-Y, Ember, S.W.J, SCHONBRUNN, E. | Deposit date: | 2016-09-30 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations. ACS Omega, 2, 2017
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3UGZ
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![BU of 3ugz by Molmil](/molmil-images/mine/3ugz) | HBI (L36A) CO bound | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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2CGX
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![BU of 2cgx by Molmil](/molmil-images/mine/2cgx) | Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening | Descriptor: | 2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2006-03-09 | Release date: | 2006-04-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening. Bioorg.Med.Chem., 14, 2006
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1RNY
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![BU of 1rny by Molmil](/molmil-images/mine/1rny) | RIBONUCLEASE A CRYSTALLIZED FROM 3M CESIUM CHLORIDE, 30% AMMONIUM SULFATE | Descriptor: | CESIUM ION, CHLORIDE ION, RIBONUCLEASE A | Authors: | Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, L, Sirakova, D, Graf, I, Almo, S.C. | Deposit date: | 1996-04-23 | Release date: | 1996-11-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
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2YQH
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![BU of 2yqh by Molmil](/molmil-images/mine/2yqh) | Crystal structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the substrate-binding form | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A. | Deposit date: | 2007-03-30 | Release date: | 2007-05-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism J.Biol.Chem., 282, 2007
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1P0D
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![BU of 1p0d by Molmil](/molmil-images/mine/1p0d) | CRYSTAL STRUCTURE OF ZYMOMONAS MOBILIS tRNA-GUANINE TRANSGLYCOSYLASE (TGT) CRYSTALLISED AT PH 5.5 | Descriptor: | Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2003-04-10 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Flexible adaptations in the structure of the tRNA-modifying enzyme
tRNA-guanine transglycosylase and their implications for substrate selectivity,
reaction mechanism and structure-based drug design Chembiochem, 4, 2003
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