2DSD
 
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2HX4
 | | Rat nNOS heme domain complexed with 4-N-(Nw-nitro-L-argininyl)-trans-4-hydroxyamino-L-proline amide | | Descriptor: | (4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Igarashi, J, Li, H, Poulos, T.L. | | Deposit date: | 2006-08-02 | | Release date: | 2007-04-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
J.Med.Chem., 50, 2007
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2HX2
 | | Bovine eNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine | | Descriptor: | (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Igarashi, J, Li, H, Poulos, T.L. | | Deposit date: | 2006-08-02 | | Release date: | 2007-04-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
J.Med.Chem., 50, 2007
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2HX3
 | | Rat nNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine | | Descriptor: | (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Igarashi, J, Li, H, Poulos, T.L. | | Deposit date: | 2006-08-02 | | Release date: | 2007-04-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
J.Med.Chem., 50, 2007
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2HUI
 | | Crystal structure of Aedes aegypti alanine glyoxylate aminotransferase in complex with glyoxylic acid | | Descriptor: | Alanine glyoxylate aminotransferase, GLYOXYLIC ACID | | Authors: | Han, Q, Robinson, H, Gao, Y.G, Vogelaar, N, Wilson, S.R, Rizzi, M, Li, J. | | Deposit date: | 2006-07-26 | | Release date: | 2006-09-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structures of Aedes aegypti Alanine Glyoxylate Aminotransferase.
J.Biol.Chem., 281, 2006
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2HUU
 | | Crystal structure of Aedes aegypti alanine glyoxylate aminotransferase in complex with alanine | | Descriptor: | 1-BUTANOL, ALANINE, Alanine glyoxylate aminotransferase | | Authors: | Han, Q, Robinson, H, Gao, Y.G, Vogelaar, N, Wilson, S.R, Rizzi, M, Li, J. | | Deposit date: | 2006-07-27 | | Release date: | 2006-09-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Aedes aegypti Alanine Glyoxylate Aminotransferase.
J.Biol.Chem., 281, 2006
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2HV5
 | | Human Aldose Reductase complexed with inhibitor zopolrestat after three days soaking (3days_soaked_3) | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2006-07-27 | | Release date: | 2006-10-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.
J.Mol.Biol., 363, 2006
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2HVN
 | | Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst) | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2006-07-29 | | Release date: | 2006-10-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.
J.Mol.Biol., 363, 2006
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2HVO
 | | Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation (10days_cocryst) | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2006-07-29 | | Release date: | 2006-10-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.
J.Mol.Biol., 363, 2006
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2HVJ
 | | Crystal structure of KcsA-Fab-TBA complex in low K+ | | Descriptor: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, NONAN-1-OL, POTASSIUM ION, ... | | Authors: | Zhou, Y. | | Deposit date: | 2006-07-28 | | Release date: | 2007-02-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel.
J.Mol.Biol., 366, 2007
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2HVK
 | | crystal structure of the KcsA-Fab-TBA complex in high K+ | | Descriptor: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, Antibody Fab heavy chain, Antibody Fab light chain, ... | | Authors: | Zhou, Y. | | Deposit date: | 2006-07-28 | | Release date: | 2007-02-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel.
J.Mol.Biol., 366, 2007
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2I17
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A. | | Deposit date: | 2006-08-13 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.81 Å) | | Cite: | Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
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2I3Y
 | | Crystal structure of human glutathione peroxidase 5 | | Descriptor: | 1,2-ETHANEDIOL, Epididymal secretory glutathione peroxidase | | Authors: | Kavanagh, K.L, Johansson, C, Rojkova, A, Umeano, C, Bunkoczi, G, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-08-21 | | Release date: | 2006-09-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human glutathione peroxidase 5
To be published
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2I6K
 | | Crystal structure of human type I IPP isomerase complexed with a substrate analog | | Descriptor: | ACETIC ACID, AMINOETHANOLPYROPHOSPHATE, Isopentenyl-diphosphate delta-isomerase 1, ... | | Authors: | Zhang, C, Wei, Z, Gong, W. | | Deposit date: | 2006-08-29 | | Release date: | 2007-06-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of human IPP isomerase: new insights into the catalytic mechanism
J.Mol.Biol., 366, 2007
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2D5N
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2D5Z
 | | Crystal structure of T-state human hemoglobin complexed with three L35 molecules | | Descriptor: | 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID, Hemoglobin alpha subunit, Hemoglobin beta subunit, ... | | Authors: | Yokoyama, T, Neya, S, Tsuneshige, A, Yonetani, T, Park, S.Y, Tame, J.R. | | Deposit date: | 2005-11-08 | | Release date: | 2006-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | R-state haemoglobin with low oxygen affinity: crystal structures of deoxy human and carbonmonoxy horse haemoglobin bound to the effector molecule L35
J.Mol.Biol., 356, 2006
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2D6L
 | | Crystal structure of mouse galectin-9 N-terminal CRD (crystal form 2) | | Descriptor: | lectin, galactose binding, soluble 9 | | Authors: | Nagae, M, Nishi, N, Nakamura, T, Wakatsuki, S, Kato, R. | | Deposit date: | 2005-11-14 | | Release date: | 2006-09-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Galectin-9 N-terminal Carbohydrate Recognition Domain from Mus musculus Reveals the Basic Mechanism of Carbohydrate Recognition
J.Biol.Chem., 281, 2006
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2D61
 | | Aspartate Aminotransferase Mutant MA With Maleic Acid | | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Tanaka, Y, Nakagawa, N, Tada, H, Yano, T, Masui, R, Kuramitsu, S. | | Deposit date: | 2005-11-08 | | Release date: | 2006-11-14 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The Structures of Aspartate Aminotransferase with Mutations of Non-Active-Site Residues
To be Published
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2D6K
 | | Crystal structure of mouse galectin-9 N-terminal CRD (crystal form 1) | | Descriptor: | lectin, galactose binding, soluble 9 | | Authors: | Nagae, M, Nishi, N, Nakamura, T, Murata, T, Wakatsuki, S, Kato, R. | | Deposit date: | 2005-11-14 | | Release date: | 2006-09-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Galectin-9 N-terminal Carbohydrate Recognition Domain from Mus musculus Reveals the Basic Mechanism of Carbohydrate Recognition
J.Biol.Chem., 281, 2006
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2D63
 | | Aspartate Aminotransferase Mutant MA With Isovaleric Acid | | Descriptor: | Aspartate aminotransferase, ISOVALERIC ACID, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Tanaka, Y, Nakagawa, N, Tada, H, Yano, T, Masui, R, Kuramitsu, S. | | Deposit date: | 2005-11-09 | | Release date: | 2006-11-14 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Structures of Aspartate Aminotransferase with Mutations of Non-Active-Site Residues
To be Published
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2D6M
 | | Crystal structure of mouse galectin-9 N-terminal CRD in complex with lactose | | Descriptor: | beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, lectin, galactose binding, ... | | Authors: | Nagae, M, Nishi, N, Nakamura, T, Wakatsuki, S, Kato, R. | | Deposit date: | 2005-11-14 | | Release date: | 2006-09-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Galectin-9 N-terminal Carbohydrate Recognition Domain from Mus musculus Reveals the Basic Mechanism of Carbohydrate Recognition
J.Biol.Chem., 281, 2006
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2D2W
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2D57
 | | Double layered 2D crystal structure of AQUAPORIN-4 (AQP4M23) at 3.2 a resolution by electron crystallography | | Descriptor: | Aquaporin-4 | | Authors: | Hiroaki, Y, Tani, K, Kamegawa, A, Gyobu, N, Nishikawa, K, Suzuki, H, Walz, T, Sasaki, S, Mitsuoka, K, Kimura, K, Mizoguchi, A, Fujiyoshi, Y. | | Deposit date: | 2005-10-29 | | Release date: | 2006-01-31 | | Last modified: | 2023-11-08 | | Method: | ELECTRON CRYSTALLOGRAPHY (3.2 Å) | | Cite: | Implications of the Aquaporin-4 Structure on Array Formation and Cell Adhesion
J.Mol.Biol., 355, 2005
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2D5Y
 | | Aspartate Aminotransferase Mutant MC With Isovaleric Acid | | Descriptor: | Aspartate aminotransferase, ISOVALERIC ACID, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Tanaka, Y, Nakagawa, N, Tada, H, Yano, T, Masui, R, Kuramitsu, S. | | Deposit date: | 2005-11-08 | | Release date: | 2006-11-14 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The Structures of Aspartate Aminotransferase with Mutations of Non-Active-Site Residues
To be Published
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2D7Y
 | | Aspartate Aminotransferase Mutant MA | | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Tanaka, Y, Nakagawa, N, Tada, H, Yano, T, Masui, R, Kuramitsu, S. | | Deposit date: | 2005-11-30 | | Release date: | 2006-11-14 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | The Structures of Aspartate Aminotransferase with Mutations of Non-Active-Site Residues
To be Published
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