7X67
 
 | | Crystal structure of AtHPPD-Y18406 complex | | Descriptor: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-phenylpropyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Lin, H.-Y, Dong, J, Yang, G.-F. | | Deposit date: | 2022-03-06 | | Release date: | 2022-06-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
|
|
7X64
 | | Crystal structure of AtHPPD-Y18027 complex | | Descriptor: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Lin, H.-Y, Dong, J, Yang, G.-F. | | Deposit date: | 2022-03-06 | | Release date: | 2022-06-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
|
|
5LHH
 | | Structure of the KDM1A/CoREST complex with the inhibitor 4-ethyl-N-[3-(methoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | | Descriptor: | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Cecatiello, V, Pasqualato, S. | | Deposit date: | 2016-07-11 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
|
|
9G7J
 | |
6CID
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2018-02-23 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
|
|
5Z27
 | |
6AF6
 | | PigA with FAD and proline | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Lee, C.-C, Ko, T.-P, Wang, A.H.J. | | Deposit date: | 2018-08-08 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal Structure of PigA: A Prolyl Thioester-Oxidizing Enzyme in Prodigiosin Biosynthesis.
Chembiochem, 20, 2019
|
|
6M7X
 | | Structure of human CYP11B1 in complex with fadrozole | | Descriptor: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B1, mitochondrial, ... | | Authors: | Scott, E.E, Brixius-Anderko, S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Structure of human cortisol-producing cytochrome P450 11B1 bound to the breast cancer drug fadrozole provides insights for drug design.
J. Biol. Chem., 294, 2019
|
|
6B58
 | | FrdA-SdhE assembly intermediate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sharma, P, Iverson, T.M. | | Deposit date: | 2017-09-28 | | Release date: | 2018-01-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.611 Å) | | Cite: | Crystal structure of an assembly intermediate of respiratory Complex II.
Nat Commun, 9, 2018
|
|
7X5W
 | | Crystal structure of AtHPPD-Y18022 complex | | Descriptor: | 1,5-dimethyl-3-naphthalen-1-yl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Lin, H.-Y, Dong, J, Yang, G.-F. | | Deposit date: | 2022-03-05 | | Release date: | 2022-06-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
|
|
6F4T
 | | Human JMJD5 (W414C) in complex with Mn(II), NOG and RCCD1 (139-143) (complex-5) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, JmjC domain-containing protein 5, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2017-11-30 | | Release date: | 2018-04-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
|
|
5ZW8
 | | PigA with FAD and proline | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Lee, C.-C, Ko, T.-P, Wang, A.H.J. | | Deposit date: | 2018-05-14 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.689 Å) | | Cite: | Crystal Structure of PigA: A Prolyl Thioester-Oxidizing Enzyme in Prodigiosin Biosynthesis.
Chembiochem, 20, 2019
|
|
5ISL
 | |
5IVC
 | | Linked KDM5A Jmj Domain Bound to the Inhibitor N3 (4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid) | | Descriptor: | 1,2-ETHANEDIOL, 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2016-03-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.573 Å) | | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
|
|
5I4F
 | | scFv 2D10 complexed with alpha 1,6 mannobiose | | Descriptor: | alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose, scFv 2D10 | | Authors: | Vashisht, S, Kumar, A, Kaur, K.J, Salunke, D.M. | | Deposit date: | 2016-02-12 | | Release date: | 2016-12-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.549 Å) | | Cite: | Antibodies Can Exploit Molecular Crowding to Bind New Antigens at Noncanonical Paratope Positions
CHEMISTRYSELECT, 1, 2016
|
|
5IVV
 | |
1XJL
 | |
6KGK
 | | LSD1-CoREST-S2101 five-membered ring adduct model | | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
|
|
6AV5
 | | Structure of human neuronal nitric oxide synthase R354A/G356D mutant heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
|
|
6B6V
 | | Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, as-isolated (protein batch 1), canonical C-cluster | | Descriptor: | Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Wittenborn, E.C, Drennan, C.L. | | Deposit date: | 2017-10-03 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
|
|
5YJB
 | | LSD1-CoREST in complex with 4-[5-(piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile | | Descriptor: | 4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Niwa, H, Sato, S, Hashimoto, T, Matsuno, K, Umehara, T. | | Deposit date: | 2017-10-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Crystal Structure of LSD1 in Complex with 4-[5-(Piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile.
Molecules, 23, 2018
|
|
1LAA
 | |
1L69
 | |
1L72
 | |
1L71
 | |
