1MOP
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1N2I
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![BU of 1n2i by Molmil](/molmil-images/mine/1n2i) | Crystal Structure of Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate, different occupancies of pantoyl adenylate | Descriptor: | ETHANOL, GLYCEROL, PANTOYL ADENYLATE, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-10-22 | Release date: | 2003-04-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of a pantothenate
synthetase from M. tuberculosis and its
complexes with substrates and a
reaction intermediate Protein Sci., 12, 2003
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1N2H
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![BU of 1n2h by Molmil](/molmil-images/mine/1n2h) | Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate | Descriptor: | ETHANOL, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-10-22 | Release date: | 2003-04-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of a pantothenate
synthetase from M. tuberculosis and its
complexes with substrates and a
reaction intermediate Protein Sci., 12, 2003
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1N2G
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1N2E
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1N2J
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4ZW0
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4DQM
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![BU of 4dqm by Molmil](/molmil-images/mine/4dqm) | Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity | Descriptor: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | Authors: | Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y. | Deposit date: | 2012-02-16 | Release date: | 2012-10-03 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells. Biochem.J., 446, 2012
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1PXO
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![BU of 1pxo by Molmil](/molmil-images/mine/1pxo) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine | Descriptor: | Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2003-07-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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1PXM
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![BU of 1pxm by Molmil](/molmil-images/mine/1pxm) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | Descriptor: | 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2003-07-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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6H1E
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![BU of 6h1e by Molmil](/molmil-images/mine/6h1e) | Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide | Descriptor: | HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ... | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | Deposit date: | 2018-07-11 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells. Nat.Struct.Mol.Biol., 26, 2019
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6H1D
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![BU of 6h1d by Molmil](/molmil-images/mine/6h1d) | Crystal structure of C21orf127-TRMT112 in complex with SAH | Descriptor: | HemK methyltransferase family member 2, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | Deposit date: | 2018-07-11 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells. Nat.Struct.Mol.Biol., 26, 2019
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1PXN
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![BU of 1pxn by Molmil](/molmil-images/mine/1pxn) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | Descriptor: | 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2003-07-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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1PXP
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![BU of 1pxp by Molmil](/molmil-images/mine/1pxp) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2003-07-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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3WAF
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![BU of 3waf by Molmil](/molmil-images/mine/3waf) | X-ray structure of apo-TtFbpA, a ferric ion-binding protein from thermus thermophilus HB8 | Descriptor: | ISOPROPYL ALCOHOL, Iron ABC transporter, periplasmic iron-binding protein | Authors: | Wang, S, Ogata, M, Horita, S, Ohtsuka, J, Nagata, K, Tanokura, M. | Deposit date: | 2013-05-02 | Release date: | 2014-05-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel mode of ferric ion coordination by the periplasmic ferric ion-binding subunit FbpA of an ABC-type iron transporter from Thermus thermophilus HB8. Acta Crystallogr.,Sect.D, 70, 2014
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3WLF
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![BU of 3wlf by Molmil](/molmil-images/mine/3wlf) | Crystal structure of (R)-carbonyl reductase from Candida Parapsilosis in complex with (R)-1-phenyl-1,2-ethanediol | Descriptor: | (1R)-1-phenylethane-1,2-diol, (R)-specific carbonyl reductase, ZINC ION | Authors: | Wang, S.S, Nie, Y, Xu, Y, Zhang, R.Z, Huang, C.H, Chan, H.C, Guo, R.T, Xiao, R. | Deposit date: | 2013-11-09 | Release date: | 2014-07-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Unconserved substrate-binding sites direct the stereoselectivity of medium-chain alcohol dehydrogenase Chem.Commun.(Camb.), 50, 2014
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3WAE
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![BU of 3wae by Molmil](/molmil-images/mine/3wae) | X-ray structure of Fe(III)-bicarbonates-ttfbpa, a ferric ion-binding protein from thermus thermophilus HB8 | Descriptor: | BICARBONATE ION, FE (III) ION, IRON ABC TRANSPORTER, ... | Authors: | Wang, S, Ogata, M, Horita, S, Ohtsuka, J, Nagata, K, Tanokura, M. | Deposit date: | 2013-05-02 | Release date: | 2014-05-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A novel mode of ferric ion coordination by the periplasmic ferric ion-binding subunit FbpA of an ABC-type iron transporter from Thermus thermophilus HB8. Acta Crystallogr.,Sect.D, 70, 2014
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3WLE
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![BU of 3wle by Molmil](/molmil-images/mine/3wle) | Crystal structure of (R)-carbonyl reductase from Candida Parapsilosis in complex with NAD | Descriptor: | (R)-specific carbonyl reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Wang, S.S, Nie, Y, Xu, Y, Zhang, R.Z, Huang, C.H, Chan, H.C, Guo, R.T, Xiao, R. | Deposit date: | 2013-11-08 | Release date: | 2014-07-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.164 Å) | Cite: | Unconserved substrate-binding sites direct the stereoselectivity of medium-chain alcohol dehydrogenase Chem.Commun.(Camb.), 50, 2014
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3WNQ
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![BU of 3wnq by Molmil](/molmil-images/mine/3wnq) | Crystal structure of (R)-carbonyl reductase H49A mutant from Candida Parapsilosis in complex with 2-hydroxyacetophenone | Descriptor: | (R)-specific carbonyl reductase, 2-hydroxy-1-phenylethanone, ZINC ION | Authors: | Wang, S.S, Nie, Y, Xu, Y, Zhang, R.Z, Huang, C.H, Chan, H.C, Guo, R.T, Ko, T.P, Xiao, R. | Deposit date: | 2013-12-15 | Release date: | 2014-07-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Unconserved substrate-binding sites direct the stereoselectivity of medium-chain alcohol dehydrogenase Chem.Commun.(Camb.), 50, 2014
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2A86
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![BU of 2a86 by Molmil](/molmil-images/mine/2a86) | Crystal structure of A Pantothenate synthetase complexed with AMP and beta-alanine | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-ALANINE, ETHANOL, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-07-07 | Release date: | 2006-02-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action. Biochemistry, 45, 2006
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2A84
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![BU of 2a84 by Molmil](/molmil-images/mine/2a84) | Crystal structure of A Pantothenate synthetase complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-07-07 | Release date: | 2006-02-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action. Biochemistry, 45, 2006
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2A88
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![BU of 2a88 by Molmil](/molmil-images/mine/2a88) | Crystal structure of A Pantothenate synthetase, apo enzyme in C2 space group | Descriptor: | GLYCEROL, Pantoate--beta-alanine ligase, SULFATE ION | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-07-07 | Release date: | 2006-02-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action. Biochemistry, 45, 2006
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2A7X
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![BU of 2a7x by Molmil](/molmil-images/mine/2a7x) | Crystal Structure of A Pantothenate synthetase complexed with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, Pantoate-beta-alanine ligase, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-07-06 | Release date: | 2006-02-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action. Biochemistry, 45, 2006
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1N2B
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![BU of 1n2b by Molmil](/molmil-images/mine/1n2b) | Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP and pantoate, higher occupancy of pantoate and lower occupancy of AMPCPP in subunit A | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-10-22 | Release date: | 2003-04-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of a pantothenate
synthetase from M. tuberculosis and its
complexes with substrates and a
reaction intermediate Protein Sci., 12, 2003
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1N2O
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![BU of 1n2o by Molmil](/molmil-images/mine/1n2o) | |