1M9K
 
 | | Human Endothelial Nitric Oxide Synthase with 7-Nitroindazole Bound | | Descriptor: | 7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2002-07-29 | | Release date: | 2002-08-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
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7FS2
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 13 | | Descriptor: | (1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.374 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FS8
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 21 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FSC
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 42 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.855 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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1MB3
 | | CRYSTAL STRUCTURE OF THE RESPONSE REGULATOR DIVK AT PH 8.5 IN COMPLEX WITH MG2+ | | Descriptor: | MAGNESIUM ION, cell division response regulator DivK | | Authors: | Guillet, V, Ohta, N, Cabantous, S, Newton, A, Samama, J.-P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2002-08-02 | | Release date: | 2002-12-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Crystallographic and Biochemical Studies of DivK Reveal Novel Features of
an Essential Response Regulator in Caulobacter crescentus.
J.Biol.Chem., 277, 2002
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1FBR
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6BNW
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1MQI
 | | Crystal Structure of the GluR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine at 1.35 Angstroms Resolution | | Descriptor: | 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, glutamate receptor 2 | | Authors: | Jin, R, Banke, T.G, Mayer, M.L, Traynelis, S.F, Gouaux, E. | | Deposit date: | 2002-09-16 | | Release date: | 2003-08-05 | | Last modified: | 2017-08-02 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural basis for partial agonist action at ionotropic glutamate receptors
Nat.Neurosci., 6, 2003
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1FRA
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6BH0
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N51) | | Descriptor: | 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5A, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.985 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BL3
 | | Crystal Complex of Cyclooxygenase-2 with indomethacin-butyldiamine-dansyl conjugate | | Descriptor: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | | Deposit date: | 2017-11-09 | | Release date: | 2018-11-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.217 Å) | | Cite: | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
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1MCE
 | | PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS | | Descriptor: | Immunoglobulin lambda-1 light chain, PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-B-ALA-OH | | Authors: | Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. | | Deposit date: | 1993-02-25 | | Release date: | 1994-01-31 | | Last modified: | 2022-04-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
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1FCT
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1MCN
 | | PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS | | Descriptor: | IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-D-HIS-L-PRO-NH2 | | Authors: | Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. | | Deposit date: | 1993-02-25 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
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1MCZ
 | | BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH AN INHIBITOR, R-MANDELATE | | Descriptor: | (R)-MANDELIC ACID, BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, ... | | Authors: | Polovnikova, E.S, Bera, A.K, Hasson, M.S. | | Deposit date: | 2002-08-06 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and Kinetic Analysis of Catalysis by a Thiamin
Diphosphate-Dependent Enzyme, Benzoylformate Decarboxylase
Biochemistry, 42, 2003
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7FWA
 | | Crystal Structure of human FABP4 in complex with 5-[(4-chloroanilino)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one | | Descriptor: | (8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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6BGZ
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methyl-1H-imidazol-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N47) | | Descriptor: | 2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, Lysine-specific demethylase 5A, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.688 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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1FNF
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1FNC
 | | REFINED CRYSTAL STRUCTURE OF SPINACH FERREDOXIN REDUCTASE AT 1.7 ANGSTROMS RESOLUTION: OXIDIZED, REDUCED, AND 2'-PHOSPHO-5'-AMP BOUND STATES | | Descriptor: | ADENOSINE-2'-5'-DIPHOSPHATE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FERREDOXIN-NADP+ REDUCTASE, ... | | Authors: | Bruns, C.M, Karplus, P.A. | | Deposit date: | 1995-01-05 | | Release date: | 1995-04-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Refined crystal structure of spinach ferredoxin reductase at 1.7 A resolution: oxidized, reduced and 2'-phospho-5'-AMP bound states.
J.Mol.Biol., 247, 1995
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1FNA
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1FNB
 | | REFINED CRYSTAL STRUCTURE OF SPINACH FERREDOXIN REDUCTASE AT 1.7 ANGSTROMS RESOLUTION: OXIDIZED, REDUCED, AND 2'-PHOSPHO-5'-AMP BOUND STATES | | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ... | | Authors: | Bruns, C.M, Karplus, P.A. | | Deposit date: | 1995-01-05 | | Release date: | 1995-04-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Refined crystal structure of spinach ferredoxin reductase at 1.7 A resolution: oxidized, reduced and 2'-phospho-5'-AMP bound states.
J.Mol.Biol., 247, 1995
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7FZA
 | | Crystal Structure of apo human FABP4, cubic form | | Descriptor: | CHLORIDE ION, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Crystal Structure of apo human FABP4
To be published
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1M5H
 | | Formylmethanofuran:tetrahydromethanopterin formyltransferase from Archaeoglobus fulgidus | | Descriptor: | Formylmethanofuran--tetrahydromethanopterin formyltransferase, POTASSIUM ION | | Authors: | Mamat, B, Roth, A, Grimm, C, Ermler, U, Tziatzios, C, Schubert, D, Thauer, R.K, Shima, S. | | Deposit date: | 2002-07-09 | | Release date: | 2002-07-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures and enzymatic properties of three formyltransferases from archaea: environmental adaptation and evolutionary relationship.
Protein Sci., 11, 2002
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6C19
 | | FGFR1 kinase complex with inhibitor SN36985 | | Descriptor: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION | | Authors: | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | | Deposit date: | 2018-01-04 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Understanding the structural requirements for covalent inhibition of FGFR1-3
To Be Published
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1FND
 | | REFINED CRYSTAL STRUCTURE OF SPINACH FERREDOXIN REDUCTASE AT 1.7 ANGSTROMS RESOLUTION: OXIDIZED, REDUCED, AND 2'-PHOSPHO-5'-AMP BOUND STATES | | Descriptor: | ADENOSINE-2'-5'-DIPHOSPHATE, FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Bruns, C.M, Karplus, P.A. | | Deposit date: | 1995-01-05 | | Release date: | 1995-04-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Refined crystal structure of spinach ferredoxin reductase at 1.7 A resolution: oxidized, reduced and 2'-phospho-5'-AMP bound states.
J.Mol.Biol., 247, 1995
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