7YXZ
 
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5WO4
 | | JAK1 complexed with compound 28 | | Descriptor: | 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lesburg, C.A, Patel, S.B. | | Deposit date: | 2017-08-01 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
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4GSF
 | | The structure analysis of cysteine free insulin degrading enzyme (ide) with (s)-2-{2-[carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3h-imidazol-4-yl)-propionic acid methyl ester | | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate | | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | | Deposit date: | 2012-08-27 | | Release date: | 2013-08-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme.
Eur.J.Med.Chem., 90, 2015
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4I1F
 | | Structure of Parkin-S223P E3 ligase | | Descriptor: | BARIUM ION, E3 ubiquitin-protein ligase parkin, ZINC ION | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-20 | | Release date: | 2013-06-19 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structure and function of Parkin E3 ubiquitin ligase reveals aspects of RING and HECT ligases.
Nat Commun, 4, 2013
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4I1H
 | | Structure of Parkin E3 ligase | | Descriptor: | E3 ubiquitin-protein ligase parkin, ZINC ION | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-20 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and function of Parkin E3 ubiquitin ligase reveals aspects of RING and HECT ligases.
Nat Commun, 4, 2013
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8G63
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5EB4
 | | The crystal structure of almond HNL, PaHNL5 V317A, expressed in Aspergillus niger | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Pavkov-Keller, T, Steinkellner, G, Gruber, K. | | Deposit date: | 2015-10-17 | | Release date: | 2016-04-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of almond hydroxynitrile lyase isoenzyme 5 provide a rationale for the lack of oxidoreductase activity in flavin dependent HNLs.
J.Biotechnol., 235, 2016
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6VS9
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6VV8
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 | | Descriptor: | 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.683 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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6VS5
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1) | | Descriptor: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B. | | Deposit date: | 2020-02-10 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.758 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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6VVB
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10) | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ... | | Authors: | Tyrakis, P, Dias, M.V.B. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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6VSE
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6VV9
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 | | Descriptor: | 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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6VS8
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6VSD
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6VSG
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17) | | Descriptor: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Dias, M.V.B. | | Deposit date: | 2020-02-11 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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6VSF
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid(fragment 16) | | Descriptor: | 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Dias, M.V.B. | | Deposit date: | 2020-02-11 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.012 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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6VS6
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6VV6
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 | | Descriptor: | 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.235 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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5EB5
 | | The crystal structure of almond HNL, PaHNL5 V317A, in complex with benzyl alcohol | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Pavkov-Keller, T, Steinkellner, G, Gruber, K. | | Deposit date: | 2015-10-17 | | Release date: | 2016-04-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of almond hydroxynitrile lyase isoenzyme 5 provide a rationale for the lack of oxidoreductase activity in flavin dependent HNLs.
J.Biotechnol., 235, 2016
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6VV7
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 | | Descriptor: | 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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3IFN
 | | X-ray structure of amyloid beta peptide:antibody (Abeta1-40:12A11) complex | | Descriptor: | 12A11 FAB antibody heavy chain, 12A11 FAB antibody light chain, Amyloid beta A4 protein | | Authors: | Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D. | | Deposit date: | 2009-07-24 | | Release date: | 2009-11-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
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3IFO
 | | X-ray structure of amyloid beta peptide:antibody (Abeta1-7:10D5) complex | | Descriptor: | 10D5 FAB antibody heavy chain, 10D5 FAB antibody light chain, Amyloid beta A4 protein | | Authors: | Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D. | | Deposit date: | 2009-07-24 | | Release date: | 2009-11-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
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3IFP
 | | X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12B4) complex | | Descriptor: | 12B4 FAB antibody heavy chain, 12B4 FAB antibody light chain, Amyloid beta A4 protein | | Authors: | Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D. | | Deposit date: | 2009-07-24 | | Release date: | 2009-11-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
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3IFL
 | | X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12A11) complex | | Descriptor: | 12A11 FAB antibody heavy chain, 12A11 FAB antibody light chain, Amyloid beta A4 protein | | Authors: | Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D. | | Deposit date: | 2009-07-24 | | Release date: | 2009-11-17 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
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