5SHH
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![BU of 5shh by Molmil](/molmil-images/mine/5shh) | Crystal Structure of human phosphodiesterase 10 in complex with 7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-6H-imidazo[4,5-g][1,3]benzothiazole | Descriptor: | 7-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Benz, J, Flohr, A, Krasso, A, Rudolph, M.G. | Deposit date: | 2022-02-01 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of a human phosphodiesterase 10 complex To be published
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2WSN
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![BU of 2wsn by Molmil](/molmil-images/mine/2wsn) | Structure of Enhanced Cyan Fluorescent Protein at physiological pH | Descriptor: | GREEN FLUORESCENT PROTEIN | Authors: | Lelimousin, M, Noirclerc-Savoye, M, Lazareno-Saez, C, Paetzold, B, Le Vot, S, Chazal, R, Macheboeuf, P, Field, M.J, Bourgeois, D, Royant, A. | Deposit date: | 2009-09-08 | Release date: | 2009-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Intrinsic Dynamics in Ecfp and Cerulean Control Fluorescence Quantum Yield. Biochemistry, 48, 2009
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2YZT
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![BU of 2yzt by Molmil](/molmil-images/mine/2yzt) | |
6OUJ
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![BU of 6ouj by Molmil](/molmil-images/mine/6ouj) | Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A | Descriptor: | 3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Kota, A, McKenna, R. | Deposit date: | 2019-05-04 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.466 Å) | Cite: | Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A To Be Published
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6OL9
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![BU of 6ol9 by Molmil](/molmil-images/mine/6ol9) | Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | Authors: | Vuckovic, Z, Christopoulos, A, Thal, D.M. | Deposit date: | 2019-04-16 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.541 Å) | Cite: | Crystal structure of the M5muscarinic acetylcholine receptor. Proc.Natl.Acad.Sci.USA, 116, 2019
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3T73
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![BU of 3t73 by Molmil](/molmil-images/mine/3t73) | Thermolysin In Complex With UBTLN22 | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-07-29 | Release date: | 2012-08-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding. Chemmedchem, 7, 2012
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6OXX
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![BU of 6oxx by Molmil](/molmil-images/mine/6oxx) | HIV-1 Protease NL4-3 WT in Complex with LR2-18 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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1IGT
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![BU of 1igt by Molmil](/molmil-images/mine/1igt) | STRUCTURE OF IMMUNOGLOBULIN | Descriptor: | IGG2A INTACT ANTIBODY - MAB231, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Harris, L.J, Larson, S.B, Hasel, K.W, McPherson, A. | Deposit date: | 1996-10-25 | Release date: | 1997-07-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Refined structure of an intact IgG2a monoclonal antibody. Biochemistry, 36, 1997
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3T87
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![BU of 3t87 by Molmil](/molmil-images/mine/3t87) | Thermolysin In Complex With UBTLN28 | Descriptor: | (2S)-2-({N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl}amino)butanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-08-01 | Release date: | 2012-08-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Thermolysin Inhibition To be Published
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6OTO
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3T74
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![BU of 3t74 by Molmil](/molmil-images/mine/3t74) | Thermolysin In Complex With UBTLN27 | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-07-29 | Release date: | 2012-08-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding. Chemmedchem, 7, 2012
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6ELW
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![BU of 6elw by Molmil](/molmil-images/mine/6elw) | High resolution structure of selenocysteine containing human GPX4 | Descriptor: | CHLORIDE ION, Phospholipid hydroperoxide glutathione peroxidase, mitochondrial | Authors: | Kalms, J, Borchert, A, Kuhn, H, Scheerer, P. | Deposit date: | 2017-09-29 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure and functional characterization of selenocysteine-containing glutathione peroxidase 4 suggests an alternative mechanism of peroxide reduction. Biochim. Biophys. Acta, 1863, 2018
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1OZ8
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6OSS
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![BU of 6oss by Molmil](/molmil-images/mine/6oss) | Crystal Structure of the Acyl-Carrier-Protein UDP-N-Acetylglucosamine O-Acyltransferase LpxA from Proteus mirabilis | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHITE ION, SULFATE ION | Authors: | Kim, Y, Stogios, P, Skarina, T, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-05-02 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal Structure of the Acyl-Carrier-Protein UDP-N-Acetylglucosamine O-Acyltransferase LpxA from Proteus mirabilis To Be Published
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2Y92
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![BU of 2y92 by Molmil](/molmil-images/mine/2y92) | Crystal structure of MAL adaptor protein | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TOLL/INTERLEUKIN-1 RECEPTOR DOMAIN-CONTAINING ADAPTER PROTEIN, | Authors: | Valkov, E, Stamp, A, Martin, J.L, Kobe, B. | Deposit date: | 2011-02-11 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal Structure of Toll-Like Receptor Adaptor Mal/Tirap Reveals the Molecular Basis for Signal Transduction and Disease Protection. Proc.Natl.Acad.Sci.USA, 108, 2011
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4HVP
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![BU of 4hvp by Molmil](/molmil-images/mine/4hvp) | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution | Descriptor: | HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | Authors: | Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A. | Deposit date: | 1989-08-08 | Release date: | 1990-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution. Science, 246, 1989
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6OUB
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2X99
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![BU of 2x99 by Molmil](/molmil-images/mine/2x99) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with NADPH | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A. | Deposit date: | 2010-03-15 | Release date: | 2010-07-21 | Last modified: | 2017-07-12 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography J.Biol.Chem., 285, 2010
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6OUE
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![BU of 6oue by Molmil](/molmil-images/mine/6oue) | |
6OXW
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![BU of 6oxw by Molmil](/molmil-images/mine/6oxw) | HIV-1 Protease NL4-3 WT in Complex with LR-100 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6EMZ
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1BK7
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![BU of 1bk7 by Molmil](/molmil-images/mine/1bk7) | RIBONUCLEASE MC1 FROM THE SEEDS OF BITTER GOURD | Descriptor: | PROTEIN (RIBONUCLEASE MC1) | Authors: | Nakagawa, A, Tanaka, I. | Deposit date: | 1998-07-15 | Release date: | 1999-07-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a ribonuclease from the seeds of bitter gourd (Momordica charantia) at 1.75 A resolution. Biochim.Biophys.Acta, 1433, 1999
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6EPU
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![BU of 6epu by Molmil](/molmil-images/mine/6epu) | The ATAD2 bromodomain in complex with compound 2 | Descriptor: | (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
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2YHU
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![BU of 2yhu by Molmil](/molmil-images/mine/2yhu) | Trypanosoma brucei PTR1 in complex with inhibitor WHF30 | Descriptor: | 3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | Deposit date: | 2011-05-06 | Release date: | 2012-05-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery. ACS Omega, 2, 2017
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6OXQ
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![BU of 6oxq by Molmil](/molmil-images/mine/6oxq) | HIV-1 Protease NL4-3 WT in Complex with UMass8 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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