4ZDA
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2F82
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2FA0
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![BU of 2fa0 by Molmil](/molmil-images/mine/2fa0) | HMG-CoA synthase from Brassica juncea in complex with HMG-CoA and covalently bound to HMG-CoA | Descriptor: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, HMG-CoA synthase | Authors: | Pojer, F, Ferrer, J.L, Richard, S.B, Noel, J.P. | Deposit date: | 2005-12-06 | Release date: | 2006-07-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2F9A
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![BU of 2f9a by Molmil](/molmil-images/mine/2f9a) | HMG-CoA synthase from Brassica juncea in complex with F-244 | Descriptor: | (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid, 3-Hydroxy-3-methylglutaryl coenzyme A synthase 1 | Authors: | Pojer, F, Ferrer, J.L, Richard, S.B, Noel, J.P. | Deposit date: | 2005-12-05 | Release date: | 2006-07-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2FA3
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![BU of 2fa3 by Molmil](/molmil-images/mine/2fa3) | HMG-CoA synthase from Brassica juncea in complex with acetyl-CoA and acetyl-cys117. | Descriptor: | ACETYL COENZYME *A, HMG-CoA synthase | Authors: | Pojer, F, Ferrer, J.L, Richard, S.B, Noel, J.P. | Deposit date: | 2005-12-06 | Release date: | 2006-07-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases. Proc.Natl.Acad.Sci.Usa, 103, 2006
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5MTM
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![BU of 5mtm by Molmil](/molmil-images/mine/5mtm) | Monobody Mb(Lck_3) bound to Lck-SH2 domain | Descriptor: | Monobody Mb(Lck_3), Tyrosine-protein kinase Lck, ZINC ION | Authors: | Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O. | Deposit date: | 2017-01-10 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.405 Å) | Cite: | Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies. J. Mol. Biol., 429, 2017
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5MTN
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![BU of 5mtn by Molmil](/molmil-images/mine/5mtn) | Monobody Mb(Lck_1) bound to Lck-Sh2 | Descriptor: | Monobody Mb(Lck_1), SULFATE ION, Tyrosine-protein kinase Lck | Authors: | Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O. | Deposit date: | 2017-01-10 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies. J. Mol. Biol., 429, 2017
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3RIM
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![BU of 3rim by Molmil](/molmil-images/mine/3rim) | Crystal structure of mycobacterium tuberculosis Transketolase (Rv1449c) | Descriptor: | GLYCEROL, MAGNESIUM ION, THIAMINE DIPHOSPHATE, ... | Authors: | Pojer, F, Fullam, E, Jones, T.A, Cole, S.T. | Deposit date: | 2011-04-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure and function of the transketolase from Mycobacterium tuberculosis and comparison with the human enzyme. Open Biol, 2, 2012
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4BGE
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2Q6K
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![BU of 2q6k by Molmil](/molmil-images/mine/2q6k) | SalL with adenosine | Descriptor: | ADENOSINE, DI(HYDROXYETHYL)ETHER, chlorinase | Authors: | Pojer, F, Noel, J.P. | Deposit date: | 2007-06-05 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and characterization of a marine bacterial SAM-dependent chlorinase Nat.Chem.Biol., 4, 2008
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4BGI
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![BU of 4bgi by Molmil](/molmil-images/mine/4bgi) | Crystal structure of InhA(S94A) mutant in complex with OH-141 | Descriptor: | 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Pojer, F, Hartkoorn, R.C, Cole, S.T. | Deposit date: | 2013-03-27 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Pyridomycin bridges the NADH- and substrate-binding pockets of the enoyl reductase InhA. Nat. Chem. Biol., 10, 2014
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2Q6L
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![BU of 2q6l by Molmil](/molmil-images/mine/2q6l) | SalL double mutant Y70T/G131S with CLDA and L-MET | Descriptor: | 5'-CHLORO-5'-DEOXYADENOSINE, Hypothetical protein, METHIONINE | Authors: | Pojer, F, Noel, J.P. | Deposit date: | 2007-06-05 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Discovery and characterization of a marine bacterial SAM-dependent chlorinase Nat.Chem.Biol., 4, 2008
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4DQU
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![BU of 4dqu by Molmil](/molmil-images/mine/4dqu) | Mycobacterium tuberculosis InhA-D148G mutant in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T. | Deposit date: | 2012-02-16 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Towards a new tuberculosis drug: pyridomycin - nature's isoniazid. EMBO Mol Med, 4, 2012
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4DTI
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![BU of 4dti by Molmil](/molmil-images/mine/4dti) | Mycobacterium tuberculosis InhA-S94A mutant in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T. | Deposit date: | 2012-02-21 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Towards a new tuberculosis drug: pyridomycin - nature's isoniazid. EMBO Mol Med, 4, 2012
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4DRE
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![BU of 4dre by Molmil](/molmil-images/mine/4dre) | Mycobacterium tuberculosis InhA in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T. | Deposit date: | 2012-02-17 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Towards a new tuberculosis drug: pyridomycin - nature's isoniazid. EMBO Mol Med, 4, 2012
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6R63
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![BU of 6r63 by Molmil](/molmil-images/mine/6r63) | Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0358 | Descriptor: | 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | Deposit date: | 2019-03-26 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.894 Å) | Cite: | Inhibition Mechanisms of Indoleamine 2,3-Dioxygenase 1 (IDO1). J.Med.Chem., 62, 2019
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3BWO
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![BU of 3bwo by Molmil](/molmil-images/mine/3bwo) | L-tryptophan aminotransferase | Descriptor: | L-tryptophan aminotransferase | Authors: | Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y. | Deposit date: | 2008-01-10 | Release date: | 2009-03-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for the shade avoidance response of plants To be Published
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3BWN
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![BU of 3bwn by Molmil](/molmil-images/mine/3bwn) | L-tryptophan aminotransferase | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, L-tryptophan aminotransferase, PHENYLALANINE, ... | Authors: | Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y. | Deposit date: | 2008-01-10 | Release date: | 2008-04-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for shade avoidance in plants Cell(Cambridge,Mass.), 133, 2008
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4P8C
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![BU of 4p8c by Molmil](/molmil-images/mine/4p8c) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127 | Descriptor: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4P8M
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![BU of 4p8m by Molmil](/molmil-images/mine/4p8m) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN114 | Descriptor: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4P8P
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![BU of 4p8p by Molmil](/molmil-images/mine/4p8p) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127 | Descriptor: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4P8Y
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![BU of 4p8y by Molmil](/molmil-images/mine/4p8y) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty21c | Descriptor: | 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-04-01 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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6HTF
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6O02
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![BU of 6o02 by Molmil](/molmil-images/mine/6o02) | |
6O03
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![BU of 6o03 by Molmil](/molmil-images/mine/6o03) | |