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1ZUB
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BU of 1zub by Molmil
Solution Structure of the RIM1alpha PDZ Domain in Complex with an ELKS1b C-terminal Peptide
Descriptor: ELKS1b, Regulating synaptic membrane exocytosis protein 1
Authors:Lu, J, Li, H, Wang, Y, Sudhof, T.C, Rizo, J.
Deposit date:2005-05-30
Release date:2005-08-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of the RIM1alpha PDZ Domain in Complex with an ELKS1b C-terminal Peptide
J.Mol.Biol., 352, 2005
4AZP
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BU of 4azp by Molmil
Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide
Descriptor: CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ...
Authors:Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
Deposit date:2012-06-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
4AZR
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BU of 4azr by Molmil
Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide
Descriptor: CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ...
Authors:Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
Deposit date:2012-06-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
4APP
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BU of 4app by Molmil
Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide
Descriptor: GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4
Authors:Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W.
Deposit date:2012-04-04
Release date:2012-06-06
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
2GIZ
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BU of 2giz by Molmil
Structural and functional analysis of Natrin, a member of crisp-3 family blocks a variety of ion channels
Descriptor: Natrin-1
Authors:Jiang, T, Wang, F, Li, H, Yin, C, Zhou, Y, Shu, Y, Qi, Z, Lin, Z.
Deposit date:2006-03-30
Release date:2006-11-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and functional analysis of natrin, a venom protein that targets various ion channels
Biochem.Biophys.Res.Commun., 351, 2006
2AG8
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BU of 2ag8 by Molmil
NADP complex of Pyrroline-5-carboxylate reductase from Neisseria meningitidis
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, pyrroline-5-carboxylate reductase
Authors:Chang, C, Li, H, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-07-26
Release date:2005-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Delta(1)-Pyrroline-5-carboxylate Reductase from Human Pathogens Neisseria meningitides and Streptococcus pyogenes.
J.Mol.Biol., 354, 2005
4AZM
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BU of 4azm by Molmil
Human epidermal fatty acid-binding protein (FABP5) in complex with the inhibitor BMS-309413
Descriptor: ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ...
Authors:Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
Deposit date:2012-06-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
1F4U
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BU of 1f4u by Molmil
THERMOPHILIC P450: CYP119 FROM SULFOLOBUS SOLFACTARICUS
Descriptor: CYTOCHROME P450 119, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J.K, Koo, L.S, Schuller, D.J, Li, H, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2000-06-09
Release date:2000-10-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Crystal structure of a thermophilic cytochrome P450 from the archaeon Sulfolobus solfataricus.
J.Biol.Chem., 275, 2000
4CUN
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BU of 4cun by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione
Descriptor: (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione, ACETATE ION, ARGININE, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2014-03-20
Release date:2014-05-28
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
4CVG
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BU of 4cvg by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain (H4B-free) supplemented with 50uM Zn acetate and with poor binding of 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one.
Descriptor: ACETATE ION, ARGININE, GLYCEROL, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2014-03-25
Release date:2014-05-28
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
1F4T
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BU of 1f4t by Molmil
THERMOPHILIC P450: CYP119 FROM SULFOLOBUS SOLFACTARICUS WITH 4-PHENYLIMIDAZOLE BOUND
Descriptor: 4-PHENYL-1H-IMIDAZOLE, CYTOCHROME P450 119, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J.K, Koo, L.S, Schuller, D.J, Li, H, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2000-06-09
Release date:2000-10-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of a thermophilic cytochrome P450 from the archaeon Sulfolobus solfataricus.
J.Biol.Chem., 275, 2000
4CU0
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BU of 4cu0 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine
Descriptor: (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2014-03-15
Release date:2014-05-07
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
4CUM
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BU of 4cum by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one
Descriptor: (9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one, ACETATE ION, ARGININE, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2014-03-20
Release date:2014-05-28
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
4D34
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BU of 4d34 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine
Descriptor: 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2014-10-20
Release date:2014-12-24
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
2B81
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BU of 2b81 by Molmil
Crystal Structure of the Luciferase-like Monooxygenase from Bacillus cereus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Luciferase-like monooxygenase, ...
Authors:Kim, Y, Li, H, Moy, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-10-06
Release date:2005-11-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Luciferase-like Monooxygenase from Bacillus cereus
To be Published
4CTZ
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BU of 4ctz by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (S)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
Descriptor: (S)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2014-03-15
Release date:2014-05-07
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
4CUL
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BU of 4cul by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one
Descriptor: 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one, ACETATE ION, ARGININE, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2014-03-20
Release date:2014-05-28
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
4CTY
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BU of 4cty by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
Descriptor: (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2014-03-15
Release date:2014-05-07
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
4D3A
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BU of 4d3a by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(3-fluorophenyl)-N-2-(2-(5-methyl-1H-imidazol-1-yl) pyrimidin-4-yl)ethylpropan-1-amine
Descriptor: 3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2014-10-20
Release date:2014-12-24
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
2CSG
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BU of 2csg by Molmil
Crystal Structure of the Putative Oxidoreductase from Salmonella typhimurium LT2
Descriptor: CITRIC ACID, FE (III) ION, ISOCITRIC ACID, ...
Authors:Kim, Y, Li, H, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-05-21
Release date:2005-07-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the Putative Oxidoreductase from Salmonella typhimurium LT2
To be Published
2CO0
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BU of 2co0 by Molmil
WDR5 and unmodified Histone H3 complex at 2.25 Angstrom
Descriptor: HISTONE H3 DIMETHYL-LYSINE 4, WD-REPEAT PROTEIN 5
Authors:Ruthenburg, A.J, Wang, W, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
Deposit date:2006-05-25
Release date:2006-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Histone H3 Recognition and Presentation by the Wdr5 Module of the Mll1 Complex
Nat.Struct.Mol.Biol., 13, 2006
2CNX
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BU of 2cnx by Molmil
WDR5 and Histone H3 Lysine 4 dimethyl complex at 2.1 angstrom
Descriptor: HISTONE H3 DIMETHYL-LYSINE 4, WD-REPEAT PROTEIN 5
Authors:Ruthenburg, A.J, Wang, W, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
Deposit date:2006-05-25
Release date:2006-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Histone H3 Recognition and Presentation by the Wdr5 Module of the Mll1 Complex
Nat.Struct.Mol.Biol., 13, 2006
7TFH
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BU of 7tfh by Molmil
Atomic model of the S. cerevisiae clamp-clamp loader complex PCNA-RFC bound to two DNA molecules, one at the 5'-recessed end and the other at the 3'-recessed end
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2022-01-06
Release date:2022-11-16
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair.
Elife, 11, 2022
7TFI
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BU of 7tfi by Molmil
Atomic model of the S. cerevisiae clamp-clamp loader complex PCNA-RFC bound to DNA with an open clamp
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2022-01-06
Release date:2022-11-16
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair.
Elife, 11, 2022
3NSE
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BU of 3nse by Molmil
BOVINE ENOS, H4B-FREE, SEITU COMPLEX
Descriptor: ACETATE ION, ARGININE, CACODYLATE ION, ...
Authors:Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
Deposit date:1998-09-23
Release date:1999-05-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998

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