1HXV
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![BU of 1hxv by Molmil](/molmil-images/mine/1hxv) | PPIASE DOMAIN OF THE MYCOPLASMA GENITALIUM TRIGGER FACTOR | Descriptor: | TRIGGER FACTOR | Authors: | Vogtherr, M, Parac, T.N, Maurer, M, Pahl, A, Fiebig, K. | Deposit date: | 2001-01-17 | Release date: | 2002-05-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR solution structure and dynamics of the peptidyl-prolyl cis-trans isomerase domain of the trigger factor from Mycoplasma genitalium compared to FK506-binding protein. J.Mol.Biol., 318, 2002
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4AJ2
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![BU of 4aj2 by Molmil](/molmil-images/mine/4aj2) | rat LDHA in complex with 5-(2-chlorophenyl)-1H-tetrazole | Descriptor: | 5-(2-CHLOROPHENYL)-1H-TETRAZOLE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Frazer, M. | Deposit date: | 2012-02-15 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJL
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![BU of 4ajl by Molmil](/molmil-images/mine/4ajl) | rat LDHA in complex with 3-(ethylcarbamoylamino)-N-(2-methyl-1,3- benzothiazol-6-yl)propanamide | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Addie, M, Ferguson, A. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJ1
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![BU of 4aj1 by Molmil](/molmil-images/mine/4aj1) | rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide | Descriptor: | GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G. | Deposit date: | 2012-02-15 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJJ
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![BU of 4ajj by Molmil](/molmil-images/mine/4ajj) | rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide | Descriptor: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Patel, J, Greenwood, R. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJ4
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![BU of 4aj4 by Molmil](/molmil-images/mine/4aj4) | rat LDHA in complex with 4-((2-allylsulfanyl-1,3-benzothizol-6-yl) amino)-4-oxo-butanoic acid | Descriptor: | 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G. | Deposit date: | 2012-02-15 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJK
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![BU of 4ajk by Molmil](/molmil-images/mine/4ajk) | rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide | Descriptor: | GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Greenwood, R. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJE
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![BU of 4aje by Molmil](/molmil-images/mine/4aje) | rat LDHA in complex with 2-(4-bromophenoxy)propanedioic acid | Descriptor: | 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Pearson, S. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJI
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![BU of 4aji by Molmil](/molmil-images/mine/4aji) | rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid | Descriptor: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, L-LACTATE DEHYDROGENASE A CHAIN | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Debreczeni, J. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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2EWA
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![BU of 2ewa by Molmil](/molmil-images/mine/2ewa) | Dual binding mode of pyridinylimidazole to MAP kinase p38 | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | Delarbre, L, Pouzieux, S, Guilloteau, J.-P, Michot, N. | Deposit date: | 2005-11-02 | Release date: | 2006-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | NMR characterization of kinase p38 dynamics in free and ligand-bound forms. Angew.Chem.Int.Ed.Engl., 45, 2006
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6FGJ
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![BU of 6fgj by Molmil](/molmil-images/mine/6fgj) | Crystal structure of the small alarmone synthethase 2 from Staphylococcus aureus | Descriptor: | GTP pyrophosphokinase, TRIETHYLENE GLYCOL | Authors: | Bange, G, Steinchen, W, Vogt, M, Altegoer, F. | Deposit date: | 2018-01-11 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Structural and mechanistic divergence of the small (p)ppGpp synthetases RelP and RelQ. Sci Rep, 8, 2018
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6FGX
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![BU of 6fgx by Molmil](/molmil-images/mine/6fgx) | Crystal structure of the small alarmone synthethase 2 from Staphylococcus aureus bound to AMPCPP | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GTP pyrophosphokinase, MAGNESIUM ION | Authors: | Bange, G, Vogt, M, Steinchen, W, Altegoer, F. | Deposit date: | 2018-01-11 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and mechanistic divergence of the small (p)ppGpp synthetases RelP and RelQ. Sci Rep, 8, 2018
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6FGK
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![BU of 6fgk by Molmil](/molmil-images/mine/6fgk) | |
1K9B
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![BU of 1k9b by Molmil](/molmil-images/mine/1k9b) | Crystal structure of the bifunctional soybean Bowman-Birk inhibitor at 0.28 nm resolution. Structural peculiarities in a folded protein conformation | Descriptor: | BOWMAN-BIRK TYPE PROTEINASE INHIBITOR | Authors: | Voss, R.H, Ermler, U, Essen, L.O, Wenzl, G, Kim, Y.M, Flecker, P. | Deposit date: | 2001-10-29 | Release date: | 2001-11-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the bifunctional soybean Bowman-Birk inhibitor at 0.28-nm resolution. Structural peculiarities in a folded protein conformation. Eur.J.Biochem., 242, 1996
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8OT2
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![BU of 8ot2 by Molmil](/molmil-images/mine/8ot2) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-5-methyl-phenol, ACETATE ION, ... | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2023-04-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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8OOM
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![BU of 8oom by Molmil](/molmil-images/mine/8oom) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACETATE ION, GdmF | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2023-04-05 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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8OSV
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![BU of 8osv by Molmil](/molmil-images/mine/8osv) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2023-04-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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8OSZ
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![BU of 8osz by Molmil](/molmil-images/mine/8osz) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 3-aminophenol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2023-04-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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8BTM
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![BU of 8btm by Molmil](/molmil-images/mine/8btm) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GdmF | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2022-11-29 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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1D6R
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![BU of 1d6r by Molmil](/molmil-images/mine/1d6r) | CRYSTAL STRUCTURE OF CANCER CHEMOPREVENTIVE BOWMAN-BIRK INHIBITOR IN TERNARY COMPLEX WITH BOVINE TRYPSIN AT 2.3 A RESOLUTION. STRUCTURAL BASIS OF JANUS-FACED SERINE PROTEASE INHIBITOR SPECIFICITY | Descriptor: | BOWMAN-BIRK PROTEINASE INHIBITOR PRECURSOR, TRYPSINOGEN | Authors: | Koepke, J, Ermler, U, Wenzl, G, Flecker, P. | Deposit date: | 1999-10-15 | Release date: | 2000-05-05 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of cancer chemopreventive Bowman-Birk inhibitor in ternary complex with bovine trypsin at 2.3 A resolution. Structural basis of Janus-faced serine protease inhibitor specificity. J.Mol.Biol., 298, 2000
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4UNR
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![BU of 4unr by Molmil](/molmil-images/mine/4unr) | Mtb TMK in complex with compound 23 | Descriptor: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNN
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![BU of 4unn by Molmil](/molmil-images/mine/4unn) | Mtb TMK in complex with compound 8 | Descriptor: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-29 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNP
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![BU of 4unp by Molmil](/molmil-images/mine/4unp) | Mtb TMK in complex with compound 34 | Descriptor: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNQ
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![BU of 4unq by Molmil](/molmil-images/mine/4unq) | Mtb TMK in complex with compound 36 | Descriptor: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNS
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![BU of 4uns by Molmil](/molmil-images/mine/4uns) | Mtb TMK in complex with compound 40 | Descriptor: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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