5UNZ
 
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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5UNU
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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4JX1
 | | Crystal structure of reduced Cytochrome P450cam-putidaredoxin complex bound to camphor and 5-exo-hydroxycamphor | | Descriptor: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, 5-EXO-HYDROXYCAMPHOR, CALCIUM ION, ... | | Authors: | Tripathi, S.M, Li, H, Poulos, T.L. | | Deposit date: | 2013-03-27 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.087 Å) | | Cite: | Structural basis for effector control and redox partner recognition in cytochrome P450.
Science, 340, 2013
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1YI9
 | | Crystal Structure Analysis of the oxidized form of the M314I mutant of Peptidylglycine alpha-Hydroxylating Monooxygenase | | Descriptor: | COPPER (II) ION, GLYCEROL, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Siebert, X, Eipper, B.A, Mains, R.E, Prigge, S.T, Blackburn, N.J, Amzel, L.M. | | Deposit date: | 2005-01-11 | | Release date: | 2005-11-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The catalytic copper of Peptidylglycine alpha-Hydroxylating Monooxygenase also plays a critical structural role.
Biophys.J., 89, 2005
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4JH0
 | | Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide | | Descriptor: | 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide, Dipeptidyl peptidase 4 | | Authors: | Klei, H.E. | | Deposit date: | 2013-03-04 | | Release date: | 2013-09-04 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
J.Med.Chem., 56, 2013
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4E6P
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4KEH
 | | Crosslinked Crystal Structure of Type II Fatty Synthase Dehydratase, FabA, and Acyl Carrier Protein, AcpP | | Descriptor: | Acyl carrier protein, N-{3-[DIHYDROXY(NONYL)-LAMBDA~4~-SULFANYL]PROPYL}-N~3~-[(2R)-2-HYDROXY-3,3-DIMETHYL-4-(PHOSPHONOOXY)BUTANOYL]-BETA-ALANINAMIDE, N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Authors: | Nguyen, C, Haushalter, R, Finzel, K, Leong, J, Le, B.C, Burkart, M, Tsai, S.C. | | Deposit date: | 2013-04-25 | | Release date: | 2013-12-25 | | Last modified: | 2014-01-29 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Trapping the dynamic acyl carrier protein in fatty acid biosynthesis.
Nature, 505, 2014
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1Z70
 | | 1.15A resolution structure of the formylglycine generating enzyme FGE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-alpha-formyglycine-generating enzyme, ... | | Authors: | Rudolph, M.G. | | Deposit date: | 2005-03-23 | | Release date: | 2005-07-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | De novo calcium/sulfur SAD phasing of the human formylglycine-generating enzyme using in-house data.
Acta Crystallogr.,Sect.D, 61, 2005
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1ZD3
 | | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-butyric acid complex | | Descriptor: | 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2005-04-14 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids
Protein Sci., 15, 2006
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4HMD
 | | Crystal structure of cold-adapted chitinase from Moritella marina with a reaction intermediate - oxazolinium ion (NGO) | | Descriptor: | 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, ... | | Authors: | Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W. | | Deposit date: | 2012-10-18 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium
Acta Crystallogr.,Sect.D, 69, 2013
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4HME
 | | Crystal structure of cold-adapted chitinase from Moritella marina with a reaction product - NAG2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, GLYCEROL, ... | | Authors: | Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W. | | Deposit date: | 2012-10-18 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium
Acta Crystallogr.,Sect.D, 69, 2013
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5WNJ
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4G33
 | | Crystal Structure of a Phospholipid-Lipoxygenase Complex from Pseudomonas aeruginosa at 2.0 A (C2221) | | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, 15S-LIPOXYGENASE, FE (II) ION, ... | | Authors: | Carpena, X, Garreta, A, Val-Moraes, S.P, Garcia-Fernandez, Q, Fita, I. | | Deposit date: | 2012-07-13 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure and interaction with phospholipids of a prokaryotic lipoxygenase from Pseudomonas aeruginosa.
Faseb J., 27, 2013
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4GJY
 | | JMJD5 in complex with N-Oxalylglycine | | Descriptor: | COBALT (II) ION, JmjC domain-containing protein 5, N-OXALYLGLYCINE | | Authors: | Del Rizzo, P.A, Trievel, R.C. | | Deposit date: | 2012-08-10 | | Release date: | 2012-09-05 | | Last modified: | 2012-11-14 | | Method: | X-RAY DIFFRACTION (1.2492 Å) | | Cite: | Crystal Structure and Functional Analysis of JMJD5 Indicate an Alternate Specificity and Function.
Mol.Cell.Biol., 32, 2012
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4H8Y
 | | Radiation damage study of lysozyme- 0.14 MGy | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | | Authors: | Sutton, K.A, Snell, E.H. | | Deposit date: | 2012-09-24 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1998 Å) | | Cite: | Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
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5X8Y
 | | A Mutation identified in Neonatal Microcephaly Destabilizes Zika Virus NS1 Assembly in vitro | | Descriptor: | ZIKV NS1 | | Authors: | Wang, D, Chen, C, Liu, S, Zhou, H, Yang, K, Zhao, Q, Ji, X, Chen, C, Xie, W, Wang, Z, Mi, L.Z, Yang, H. | | Deposit date: | 2017-03-03 | | Release date: | 2017-05-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.817 Å) | | Cite: | A Mutation Identified in Neonatal Microcephaly Destabilizes Zika Virus NS1 Assembly in Vitro
Sci Rep, 7, 2017
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5X68
 | | Crystal Structure of Human KMO | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | | Authors: | Kim, H.T, Hwang, K.Y. | | Deposit date: | 2017-02-21 | | Release date: | 2018-02-21 | | Last modified: | 2018-05-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
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5X6P
 | | Crystal structure of Pseudomonas fluorescens KMO | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | | Authors: | Kim, H.T, Hwang, K.Y. | | Deposit date: | 2017-02-22 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
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1ZD5
 | | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-heptanoic acid complex | | Descriptor: | 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2005-04-14 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids
Protein Sci., 15, 2006
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4HNK
 | | Crystal structure of an Enzyme | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, GLYCEROL | | Authors: | El Bakkouri, M, Calmettes, C, Wernimont, A.K, Houry, W.A, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-10-19 | | Release date: | 2012-12-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Insights into the Inactive Subunit of the Apicoplast-localized Caseinolytic Protease Complex of Plasmodium falciparum.
J.Biol.Chem., 288, 2013
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4K5E
 | | Structure of neuronal nitric oxide synthase heme domain in complex with (R)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-04-14 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4HR7
 | | Crystal Structure of Biotin Carboxyl Carrier Protein-Biotin Carboxylase Complex from E.coli | | Descriptor: | 1,2-ETHANEDIOL, Biotin carboxyl carrier protein of acetyl-CoA carboxylase, Biotin carboxylase, ... | | Authors: | Broussard, T.C, Kobe, M.J, Pakhomova, S, Neau, D.B, Price, A.E, Champion, T.S, Waldrop, G.L. | | Deposit date: | 2012-10-26 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.495 Å) | | Cite: | The three-dimensional structure of the biotin carboxylase-biotin carboxyl carrier protein complex of E. coli acetyl-CoA carboxylase.
Structure, 21, 2013
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4KKY
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1YMV
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4MAH
 | | Structure of Aspergillus oryzae AA11 Lytic Polysaccharide Monooxygenase with Zn | | Descriptor: | 1,2-ETHANEDIOL, AA11 Lytic Polysaccharide Monooxygenase, CHLORIDE ION, ... | | Authors: | Hemsworth, G.R, Henrissat, B, Walton, P.H, Davies, G.J. | | Deposit date: | 2013-08-16 | | Release date: | 2013-12-18 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and characterization of a new family of lytic polysaccharide monooxygenases.
Nat.Chem.Biol., 10, 2014
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