4AZO
 
 | | Murine epidermal fatty acid-binding protein (FABP5), apo form, poly- his tag removed | | 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 (2.33 Å) | | Cite: | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
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5TS0
 | | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2208 | | Descriptor: | (2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name), Proteasome subunit alpha, Proteasome subunit beta | | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | | Deposit date: | 2016-10-27 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.84679747 Å) | | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
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5TRS
 | | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2144 | | Descriptor: | N-tert-butoxy-N~2~-(5-methyl-1,2-oxazole-3-carbonyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta | | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | | Deposit date: | 2016-10-27 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.083567 Å) | | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
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1RLG
 | | Molecular basis of Box C/D RNA-protein interaction: co-crystal structure of the Archaeal sRNP intiation complex | | Descriptor: | 25-MER, 50S ribosomal protein L7Ae | | Authors: | Moore, T, Zhang, Y, Fenley, M.O, Li, H. | | Deposit date: | 2003-11-25 | | Release date: | 2004-06-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular Basis of Box C/D RNA-Protein Interactions; Cocrystal Structure of Archaeal L7Ae and a Box C/D RNA.
STRUCTURE, 12, 2004
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1U7N
 | | Crystal Structure of the fatty acid/phospholipid synthesis protein PlsX from Enterococcus faecalis V583 | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Fatty acid/phospholipid synthesis protein plsX | | Authors: | Kim, Y, Li, H, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-08-04 | | Release date: | 2004-08-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structure of fatty acid/phospholipid synthesis protein PlsX from Enterococcus faecalis.
J.STRUCT.FUNCT.GENOM., 10, 2009
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4APP
 | | 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
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1S4K
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5UN0
 | | Crystal Structure of Mycobacterium Tuberculosis Proteasome-assembly chaperone homologue Rv2125 | | Descriptor: | proteasome assembly chaperone 2 (PAC2) homologue Rv2125 | | Authors: | Bai, L, Jastrab, J.B, Hu, K, Yu, H, Darwin, K.H, Li, H. | | Deposit date: | 2017-01-30 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Analysis of Mycobacterium tuberculosis Homologues of the Eukaryotic Proteasome Assembly Chaperone 2 (PAC2).
J. Bacteriol., 199, 2017
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4CUN
 | | 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
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4CVG
 | | 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
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1Q9U
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4CU0
 | | 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
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1T2B
 | | Crystal Structure of cytochrome P450cin complexed with its substrate 1,8-cineole | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, P450cin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Meharenna, Y.T, Li, H, Hawkes, D.B, Pearson, A.G, De Voss, J, Poulos, T.L. | | Deposit date: | 2004-04-20 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of P450cin in a complex with its substrate, 1,8-cineole, a close structural homologue to D-camphor, the substrate for P450cam
Biochemistry, 43, 2004
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1SS4
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4CUM
 | | 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
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4D34
 | | 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
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4CTZ
 | | 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
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4CUL
 | | 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
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4CTY
 | | 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
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4D3A
 | | 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
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1TVK
 | | The binding mode of epothilone A on a,b-tubulin by electron crystallography | | Descriptor: | EPOTHILONE A, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Nettles, J.H, Li, H, Cornett, B, Krahn, J.M, Snyder, J.P, Downing, K.H. | | Deposit date: | 2004-06-29 | | Release date: | 2004-09-14 | | Last modified: | 2023-08-23 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.89 Å) | | Cite: | The binding mode of epothilone A on alpha,beta-tubulin by electron crystallography
Science, 305, 2004
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4AZM
 | | 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
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3S2W
 | | The crystal structure of a MarR transcriptional regulator from Methanosarcina mazei Go1 | | Descriptor: | SULFATE ION, Transcriptional regulator, MarR family | | Authors: | Tan, K, Li, H, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-05-17 | | Release date: | 2011-06-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.453 Å) | | Cite: | The crystal structure of a MarR transcriptional regulator from Methanosarcina mazei Go1
To be Published
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7KY8
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the E1-ATP state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, ... | | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | Deposit date: | 2020-12-07 | | Release date: | 2021-01-06 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
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7KYC
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf1-Lem3 complex in the E2P state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | Deposit date: | 2020-12-07 | | Release date: | 2021-01-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
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