4OYR
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![BU of 4oyr by Molmil](/molmil-images/mine/4oyr) | Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding | Descriptor: | 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-13 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2995 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4OXY
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![BU of 4oxy by Molmil](/molmil-images/mine/4oxy) | Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA | Descriptor: | 5-hexyl-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Sullivan, T.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-09 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3501 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4OXN
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![BU of 4oxn by Molmil](/molmil-images/mine/4oxn) | Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ... | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-05 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2926 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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2PJ9
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![BU of 2pj9 by Molmil](/molmil-images/mine/2pj9) | CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX | Descriptor: | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2007-04-15 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structures of potent selective peptide mimetics bound to carboxypeptidase B. Acta Crystallogr.,Sect.D, 64, 2008
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2PJ8
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![BU of 2pj8 by Molmil](/molmil-images/mine/2pj8) | |
2PJ3
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![BU of 2pj3 by Molmil](/molmil-images/mine/2pj3) | |
2PJ7
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![BU of 2pj7 by Molmil](/molmil-images/mine/2pj7) | |
2PJ6
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![BU of 2pj6 by Molmil](/molmil-images/mine/2pj6) | |
2PJA
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![BU of 2pja by Molmil](/molmil-images/mine/2pja) | |
2PIZ
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![BU of 2piz by Molmil](/molmil-images/mine/2piz) | |
4OXK
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![BU of 4oxk by Molmil](/molmil-images/mine/4oxk) | Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-05 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8429 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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2PJ2
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3OY9
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![BU of 3oy9 by Molmil](/molmil-images/mine/3oy9) | |
3MRW
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![BU of 3mrw by Molmil](/molmil-images/mine/3mrw) | Crystal Structure of type I ribosome inactivating protein from Momordica balsamina at 1.7 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Kushwaha, G.S, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-04-29 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of type I ribosome inactivating protein from Momordica balsamina at 1.7 A resolution To be Published
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3N31
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![BU of 3n31 by Molmil](/molmil-images/mine/3n31) | Crystal Structure of the complex of type I ribosome inactivating protein with fucose at 2.1A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein, ... | Authors: | Kushwaha, G.S, Pandey, N, Perbandt, M, Betzel, C, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-05-19 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal Structure of the complex of type I ribosome inactivating protein with fucose at 2.1A resolution To be Published
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3NFM
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![BU of 3nfm by Molmil](/molmil-images/mine/3nfm) | Crystal Structure of the complex of type I ribosome inactivating protein with fructose at 2.5A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein, ... | Authors: | Kushwaha, G.S, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-06-10 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the complex of type I ribosome inactivating protein with fructose at 2.5A resolution To be Published
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6EBV
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![BU of 6ebv by Molmil](/molmil-images/mine/6ebv) | Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N7-Pan | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, Type II pantothenate kinase | Authors: | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H, Park, H. | Deposit date: | 2018-08-07 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase. To Be Published
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7B12
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![BU of 7b12 by Molmil](/molmil-images/mine/7b12) | HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]ethyl]boronic acid | Descriptor: | ((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Musil, D, Klein, M, Crosignani, S. | Deposit date: | 2020-11-23 | Release date: | 2021-12-01 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structure-Based Optimization and Discovery of M3258, a Specific Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i). J.Med.Chem., 64, 2021
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3OC8
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![BU of 3oc8 by Molmil](/molmil-images/mine/3oc8) | Crystal Structure of the C-terminal Domain of the Vibrio cholerae soluble colonization factor TcpF | Descriptor: | 1,4-DIETHYLENE DIOXIDE, GLYCEROL, SULFATE ION, ... | Authors: | Craig, L, Kolappan, S, Yuen, A.S.W. | Deposit date: | 2010-08-09 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Vibrio cholerae Colonization Factor TcpF and Identification of a Functional Immunogenic Site. J.Mol.Biol., 409, 2011
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1G66
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![BU of 1g66 by Molmil](/molmil-images/mine/1g66) | ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION | Descriptor: | ACETYL XYLAN ESTERASE II, GLYCEROL, SULFATE ION | Authors: | Ghosh, D, Sawicki, M, Lala, P, Erman, M, Pangborn, W, Eyzaguirre, J, Gutierrez, R, Jornvall, H, Thiel, D.J. | Deposit date: | 2000-11-03 | Release date: | 2001-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Multiple conformations of catalytic serine and histidine in acetylxylan esterase at 0.90 A. J.Biol.Chem., 276, 2001
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8UIA
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1HKU
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![BU of 1hku by Molmil](/molmil-images/mine/1hku) | CtBP/BARS: a dual-function protein involved in transcription corepression and Golgi membrane fission | Descriptor: | C-TERMINAL BINDING PROTEIN 3, FORMIC ACID, GLYCEROL, ... | Authors: | Nardini, M, Spano, S, Cericola, C, Pesce, A, Massaro, A, Millo, E, Luini, A, Corda, D, Bolognesi, M. | Deposit date: | 2003-03-11 | Release date: | 2003-06-19 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ctbp/Bars: A Dual-Function Protein Involved in Transcription Co-Repression and Golgi Membrane Fission Embo J., 22, 2003
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1QNJ
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![BU of 1qnj by Molmil](/molmil-images/mine/1qnj) | THE STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT ATOMIC RESOLUTION (1.1 A) | Descriptor: | ELASTASE, SODIUM ION, SULFATE ION | Authors: | Wurtele, M, Hahn, M, Hilpert, K, Hohne, W. | Deposit date: | 1999-10-15 | Release date: | 2000-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic Resolution Structure of Native Porcine Pancreatic Elastase at 1.1 A Acta Crystallogr.,Sect.D, 56, 2000
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1G7B
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![BU of 1g7b by Molmil](/molmil-images/mine/1g7b) | 1.3 A STRUCTURE OF T3R3 HUMAN INSULIN AT 100 K | Descriptor: | ACETONE, CHLORIDE ION, GLYCEROL, ... | Authors: | Smith, G.D, Pangborn, W.A, Blessing, R.H. | Deposit date: | 2000-11-09 | Release date: | 2001-08-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Phase changes in T(3)R(3)(f) human insulin: temperature or pressure induced? Acta Crystallogr.,Sect.D, 57, 2001
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1G7A
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![BU of 1g7a by Molmil](/molmil-images/mine/1g7a) | 1.2 A structure of T3R3 human insulin at 100 K | Descriptor: | ACETONE, CHLORIDE ION, GLYCEROL, ... | Authors: | Smith, G.D, Pangborn, W.A, Blessing, R.H. | Deposit date: | 2000-11-09 | Release date: | 2001-08-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Phase changes in T(3)R(3)(f) human insulin: temperature or pressure induced? Acta Crystallogr.,Sect.D, 57, 2001
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