4S1Y
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4RNC
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![BU of 4rnc by Molmil](/molmil-images/mine/4rnc) | Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013 | Descriptor: | Esterase, PHOSPHATE ION | Authors: | Dou, S, Kong, X.D, Xu, J.H, Zhou, J. | Deposit date: | 2014-10-23 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substrate channel evolution of an esterase for the synthesis of Cilastatin CATALYSIS SCIENCE AND TECHNOLOGY, 5, 2015
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4OOK
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![BU of 4ook by Molmil](/molmil-images/mine/4ook) | Third Metal bound M.tuberculosis methionine aminopeptidase | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 2, SODIUM ION | Authors: | Reddi, R, Addlagatta, A. | Deposit date: | 2014-02-03 | Release date: | 2015-02-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective targeting of the conserved active site cysteine of Mycobacterium tuberculosis methionine aminopeptidase with electrophilic reagents Febs J., 281, 2014
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4OOT
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4OVF
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![BU of 4ovf by Molmil](/molmil-images/mine/4ovf) | E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2014-02-21 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
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4K3P
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![BU of 4k3p by Molmil](/molmil-images/mine/4k3p) | E. coli sliding clamp in complex with AcQLALF | Descriptor: | (ACE)QLALF, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-04-11 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
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4KO7
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2Z2F
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![BU of 2z2f by Molmil](/molmil-images/mine/2z2f) | X-ray Crystal Structure of Bovine Stomach Lysozyme | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Lysozyme C-2, SODIUM ION | Authors: | Akieda, D, Nonaka, Y, Watanabe, N, Tanaka, I, Kamiya, M, Aizawa, T, Nitta, K, Demura, M, Kawano, K. | Deposit date: | 2007-05-21 | Release date: | 2008-05-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Stability of Bovine Stomach Lysozyme in Acidic Condition To be Published
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2Z5F
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![BU of 2z5f by Molmil](/molmil-images/mine/2z5f) | Human sulfotransferase Sult1b1 in complex with PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase family cytosolic 1B member 1 | Authors: | Dombrovski, L, Pegasova, T, Wu, H, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-07 | Release date: | 2007-08-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of human sulfotransferases SULT1B1 and SULT1C1 complexed with the cofactor product adenosine-3'-5'-diphosphate (PAP) Proteins, 64, 2006
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3MOU
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4K3R
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![BU of 4k3r by Molmil](/molmil-images/mine/4k3r) | E. coli sliding clamp in complex with AcQLDLA | Descriptor: | (ACE)QLDLA, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-04-11 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
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2Z2E
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![BU of 2z2e by Molmil](/molmil-images/mine/2z2e) | Crystal Structure of Canine Milk Lysozyme Stabilized against Non-enzymatic Deamidation | Descriptor: | Lysozyme C, milk isozyme, SULFATE ION | Authors: | Nonaka, Y, Akieda, D, Watanabe, N, Tanaka, I, Kamiya, M, Aizawa, T, Nitta, K, Demura, M, Kawano, K. | Deposit date: | 2007-05-21 | Release date: | 2007-11-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Spontaneous asparaginyl deamidation of canine milk lysozyme under mild conditions Proteins, 72, 2008
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4KJV
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![BU of 4kjv by Molmil](/molmil-images/mine/4kjv) | Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor. | Descriptor: | 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2013-05-03 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013
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3N0D
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3N3G
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![BU of 3n3g by Molmil](/molmil-images/mine/3n3g) | 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important | Descriptor: | (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine, 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile, Cathepsin S, ... | Authors: | Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. | Deposit date: | 2010-05-20 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important. Bioorg.Med.Chem.Lett., 20, 2010
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3MXX
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3MX4
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![BU of 3mx4 by Molmil](/molmil-images/mine/3mx4) | DNA binding and cleavage by the GIY-YIG endonuclease R.Eco29KI inactive variant E142Q | Descriptor: | DNA (5'-D(P*CP*GP*GP*GP*AP*GP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*CP*GP*CP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*CP*GP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*CP*TP*CP*CP*CP*G)-3'), Eco29kIR | Authors: | Mak, A.N.S, Lambert, A.R, Stoddard, B.L. | Deposit date: | 2010-05-06 | Release date: | 2010-09-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Folding, DNA Recognition, and Function of GIY-YIG Endonucleases: Crystal Structures of R.Eco29kI. Structure, 18, 2010
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6RPS
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![BU of 6rps by Molmil](/molmil-images/mine/6rps) | X-ray crystal structure of carbonic anhydrase XII complexed with a theranostic monoclonal antibody fragment | Descriptor: | ACETATE ION, CADMIUM ION, CHLORIDE ION, ... | Authors: | Alterio, V, Esposito, D, De Simone, G. | Deposit date: | 2019-05-14 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Biochemical and Structural Insights into Carbonic Anhydrase XII/Fab6A10 Complex. J.Mol.Biol., 431, 2019
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3N4L
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![BU of 3n4l by Molmil](/molmil-images/mine/3n4l) | BACE-1 in complex with ELN380842 | Descriptor: | Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide | Authors: | Yao, N.H. | Deposit date: | 2010-05-21 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg.Med.Chem.Lett., 20, 2010
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4LBF
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3N0E
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4MFF
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![BU of 4mff by Molmil](/molmil-images/mine/4mff) | Structure of human DNA polymerase beta complexed with O6MG in the template base paired with incoming non-hydrolyzable TTP | Descriptor: | 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA polymerase beta, MAGNESIUM ION, ... | Authors: | Koag, M.C, Min, K, Monzingo, A.F, Lee, S. | Deposit date: | 2013-08-27 | Release date: | 2014-04-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta. J.Am.Chem.Soc., 136, 2014
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4MFC
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![BU of 4mfc by Molmil](/molmil-images/mine/4mfc) | Structure of human DNA polymerase beta complexed with O6MG in the template base paired with incoming non-hydrolyzable CTP | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA polymerase beta, MAGNESIUM ION, ... | Authors: | Koag, M.C, Min, K, Monzingo, A.F, Lee, S. | Deposit date: | 2013-08-27 | Release date: | 2014-04-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta. J.Am.Chem.Soc., 136, 2014
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4MGV
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3N9K
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![BU of 3n9k by Molmil](/molmil-images/mine/3n9k) | F229A/E292S Double Mutant of Exo-beta-1,3-glucanase from Candida albicans in Complex with Laminaritriose at 1.7 A | Descriptor: | CALCIUM ION, Glucan 1,3-beta-glucosidase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | Authors: | Nakatani, Y, Cutfield, S.M, Cutfield, J.F. | Deposit date: | 2010-05-30 | Release date: | 2010-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Carbohydrate binding sites in Candida albicans exo-beta-1,3-glucanase and the role of the Phe-Phe 'clamp' at the active site entrance Febs J., 277, 2010
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