4RW3
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![BU of 4rw3 by Molmil](/molmil-images/mine/4rw3) | Structural insights into substrate binding of brown spider venom class II phospholipases D | Descriptor: | D-MYO-INOSITOL-1-PHOSPHATE, DECANOIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Coronado, M.A, Ullah, A, da Silva, L.S, Chaves-Moreira, D, Vuitika, L, Chaim, O.M, Veiga, S.S, Chahine, J, Murakami, M.T, Arni, R.K. | Deposit date: | 2014-12-01 | Release date: | 2015-06-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural Insights into Substrate Binding of Brown Spider Venom Class II Phospholipases D. Curr Protein Pept Sci, 16, 2015
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2CM3
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![BU of 2cm3 by Molmil](/molmil-images/mine/2cm3) | Structure of Protein Tyrosine Phosphatase 1B (C2) | Descriptor: | CALCIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | Deposit date: | 2006-05-04 | Release date: | 2006-08-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics. J.Biol.Chem., 281, 2006
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2CMA
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![BU of 2cma by Molmil](/molmil-images/mine/2cma) | Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics | Descriptor: | N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | Deposit date: | 2006-05-04 | Release date: | 2006-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics. J.Biol.Chem., 281, 2006
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4X80
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![BU of 4x80 by Molmil](/molmil-images/mine/4x80) | Crystal Structure of murine 7B4 Fab monoclonal antibody against ADAMTS5 | Descriptor: | IgG1 7B4 FAB Heavy chain, IgG1 7B4 FAB Light Chain | Authors: | Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J. | Deposit date: | 2014-12-09 | Release date: | 2015-04-08 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification. Osteoarthr. Cartil., 23, 2015
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4X8J
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![BU of 4x8j by Molmil](/molmil-images/mine/4x8j) | Crystal Structure of murine 12F4 Fab monoclonal antibody against ADAMTS5 | Descriptor: | 12F4 FAB Heavy chain, 12F4 FAB Light chain, NONAETHYLENE GLYCOL, ... | Authors: | Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J. | Deposit date: | 2014-12-10 | Release date: | 2015-04-08 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification. Osteoarthr. Cartil., 23, 2015
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5NXE
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![BU of 5nxe by Molmil](/molmil-images/mine/5nxe) | Crystal structure of TNKS2 in complex with 2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one | Descriptor: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-05-10 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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4X4Q
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2OC0
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![BU of 2oc0 by Molmil](/molmil-images/mine/2oc0) | Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2DZY
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![BU of 2dzy by Molmil](/molmil-images/mine/2dzy) | |
4RNS
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![BU of 4rns by Molmil](/molmil-images/mine/4rns) | PcpR inducer binding domain (apo-form) | Descriptor: | PCP degradation transcriptional activation protein | Authors: | Hayes, R.P, Moural, T.W, Lewis, K.M, Onofrei, D, Xun, L, Kang, C. | Deposit date: | 2014-10-25 | Release date: | 2014-11-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum. Int J Mol Sci, 15, 2014
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1CYE
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![BU of 1cye by Molmil](/molmil-images/mine/1cye) | THREE DIMENSIONAL STRUCTURE OF CHEMOTACTIC CHE Y PROTEIN IN AQUEOUS SOLUTION BY NUCLEAR MAGNETIC RESONANCE METHODS | Descriptor: | CHEY | Authors: | Santoro, J, Bruix, M, Pascual, J, Lopez, E, Serrano, L, Rico, M. | Deposit date: | 1994-10-21 | Release date: | 1995-02-07 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of chemotactic Che Y protein in aqueous solution by nuclear magnetic resonance methods. J.Mol.Biol., 247, 1995
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7UCU
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![BU of 7ucu by Molmil](/molmil-images/mine/7ucu) | Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 85K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-17 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UEI
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![BU of 7uei by Molmil](/molmil-images/mine/7uei) | Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 100 K, 1.2 A, crystal 16 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-21 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UDW
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![BU of 7udw by Molmil](/molmil-images/mine/7udw) | Designed pentameric proton channel QQLL | Descriptor: | De novo designed pentameric proton channel QQLL | Authors: | Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F. | Deposit date: | 2022-03-20 | Release date: | 2022-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
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7UC9
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![BU of 7uc9 by Molmil](/molmil-images/mine/7uc9) | Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 45 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-16 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UEC
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![BU of 7uec by Molmil](/molmil-images/mine/7uec) | Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 50 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-21 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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4RPE
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4RPO
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![BU of 4rpo by Molmil](/molmil-images/mine/4rpo) | PcpR inducer binding domain (Complex with 2,4,6-trichlorophenol) | Descriptor: | 2,4,6-trichlorophenol, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Hayes, R.P, Moural, T.W, Lewis, K.M, Onofrei, D, Xun, L, Kang, C. | Deposit date: | 2014-10-30 | Release date: | 2014-11-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum. Int J Mol Sci, 15, 2014
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7UDE
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![BU of 7ude by Molmil](/molmil-images/mine/7ude) | Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 125 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-18 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UEF
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![BU of 7uef by Molmil](/molmil-images/mine/7uef) | Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 85 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-21 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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4YOO
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![BU of 4yoo by Molmil](/molmil-images/mine/4yoo) | p107 pocket domain in complex with LIN52 P29A peptide | Descriptor: | LIN52 peptide, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, SULFATE ION | Authors: | Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M. | Deposit date: | 2015-03-12 | Release date: | 2015-05-13 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural mechanisms of DREAM complex assembly and regulation. Genes Dev., 29, 2015
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7UEE
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![BU of 7uee by Molmil](/molmil-images/mine/7uee) | Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 75 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-21 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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5NWC
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![BU of 5nwc by Molmil](/molmil-images/mine/5nwc) | Crystal structure of TNKS2 in complex with 2-(2-aminophenyl)-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(2-aminophenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-05-05 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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7UDV
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![BU of 7udv by Molmil](/molmil-images/mine/7udv) | |
2E01
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![BU of 2e01 by Molmil](/molmil-images/mine/2e01) | |