1M99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m99 by Molmil](/molmil-images/mine/1m99) | Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with glutathione sulfonic acid | Descriptor: | GLUTATHIONE SULFONIC ACID, Glutathione S-Transferase 26kDa | Authors: | Cardoso, R.M.F, Daniels, D.S, Bruns, C.M, Tainer, J.A. | Deposit date: | 2002-07-28 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of the electrophile
binding site and substrate binding
mode of the 26-kDa glutathione
S-transferase from Schistosoma
japonicum PROTEINS: STRUCT.,FUNCT.,GENET., 51, 2003
|
|
1M9R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m9r by Molmil](/molmil-images/mine/1m9r) | human endothelial nitric oxide synthase with 3-Bromo-7-Nitroindazole bound | Descriptor: | 3-BROMO-7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
|
|
1M9J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m9j by Molmil](/molmil-images/mine/1m9j) | human endothelial nitric oxide synthase with chlorzoxazone bound | Descriptor: | CHLORZOXAZONE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
|
|
1M8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m8i by Molmil](/molmil-images/mine/1m8i) | inducible nitric oxide synthase with 5-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
|
|
1M8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m8e by Molmil](/molmil-images/mine/1m8e) | inducible nitric oxide synthase with 7-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
|
|
1M9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m9m by Molmil](/molmil-images/mine/1m9m) | human endothelial nitric oxide synthase with 6-nitroindazole bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-NITROINDAZOLE, ISOPROPYL ALCOHOL, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
|
|
1M8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m8h by Molmil](/molmil-images/mine/1m8h) | inducible nitric oxide synthase with 6-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
|
|
1M9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m9k by Molmil](/molmil-images/mine/1m9k) | Human Endothelial Nitric Oxide Synthase with 7-Nitroindazole Bound | Descriptor: | 7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
|
|
1M9A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m9a by Molmil](/molmil-images/mine/1m9a) | Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with S-hexylglutathione | Descriptor: | Glutathione S-Transferase 26 kDa, S-HEXYLGLUTATHIONE | Authors: | Cardoso, R.M.F, Daniels, D.S, Bruns, C.M, Tainer, J.A. | Deposit date: | 2002-07-28 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of the electrophile
binding site and substrate binding
mode of the 26-kDa glutathione
S-transferase from Schistosoma
japonicum PROTEINS: STRUCT.,FUNCT.,GENET., 51, 2003
|
|
1M9Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m9q by Molmil](/molmil-images/mine/1m9q) | human endothelial nitric oxide synthase with 5-nitroindazole bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-NITROINDAZOLE, ISOPROPYL ALCOHOL, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
|
|
1M8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m8d by Molmil](/molmil-images/mine/1m8d) | inducible nitric oxide synthase with Chlorzoxazone bound | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORZOXAZONE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
|
|
1M9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m9t by Molmil](/molmil-images/mine/1m9t) | Inducible Nitric Oxide Synthase with 3-Bromo-7-Nitroindazole bound | Descriptor: | 1,2-ETHANEDIOL, 3-BROMO-7-NITROINDAZOLE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-09-05 | Release date: | 2002-09-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
|
|
3L41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l41 by Molmil](/molmil-images/mine/3l41) | Crystal Structure of S. pombe Brc1 BRCT5-BRCT6 domains in complex with phosphorylated H2A | Descriptor: | BRCT-containing protein 1, phosphorylated H2A tail | Authors: | Williams, R.S, Williams, J.S, Guenther, G, Tainer, J.A. | Deposit date: | 2009-12-18 | Release date: | 2010-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | gammaH2A binds Brc1 to maintain genome integrity during S-phase. Embo J., 29, 2010
|
|
3L2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l2p by Molmil](/molmil-images/mine/3l2p) | Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching Between Two DNA Bound States | Descriptor: | 5'-D(*GP*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*CP*CP*G)-3', 5'-D(*GP*TP*CP*GP*GP*AP*CP*TP*G)-3', 5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*C)-3', ... | Authors: | Cotner-Gohara, E.A, Kim, I.K, Hammel, M, Tainer, J.A, Tomkinson, A, Ellenberger, T. | Deposit date: | 2009-12-15 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching between Two DNA-Bound States. Biochemistry, 49, 2010
|
|
3L40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l40 by Molmil](/molmil-images/mine/3l40) | |
3HVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hvc by Molmil](/molmil-images/mine/3hvc) | Crystal structure of human p38alpha MAP kinase | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | Perry, J.J, Tainer, J.A. | Deposit date: | 2009-06-15 | Release date: | 2009-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses. J.Mol.Biol., 391, 2009
|
|
3HRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hrv by Molmil](/molmil-images/mine/3hrv) | Crystal structure of TcpA, a Type IV pilin from Vibrio cholerae El Tor biotype | Descriptor: | GLYCEROL, SULFATE ION, Toxin coregulated pilin | Authors: | Craig, L, Arvai, A.S, Tainer, J.A. | Deposit date: | 2009-06-09 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Vibrio cholerae El Tor TcpA crystal structure and mechanism for pilus-mediated microcolony formation. Mol.Microbiol., 77, 2010
|
|
3HUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3huf by Molmil](/molmil-images/mine/3huf) | Structure of the S. pombe Nbs1-Ctp1 complex | Descriptor: | DNA repair and telomere maintenance protein nbs1, Double-strand break repair protein ctp1, THIOCYANATE ION | Authors: | Williams, R.S, Guenther, G, Tainer, J.A. | Deposit date: | 2009-06-13 | Release date: | 2009-10-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Nbs1 flexibly tethers Ctp1 and Mre11-Rad50 to coordinate DNA double-strand break processing and repair. Cell(Cambridge,Mass.), 139, 2009
|
|
3HUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hue by Molmil](/molmil-images/mine/3hue) | |
1JCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jcv by Molmil](/molmil-images/mine/1jcv) | REDUCED BRIDGE-BROKEN YEAST CU/ZN SUPEROXIDE DISMUTASE LOW TEMPERATURE (-180C) STRUCTURE | Descriptor: | COPPER (II) ION, CU/ZN SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Ogihara, N.L, Parge, H.E, Hart, P.J, Weiss, M.S, Valentine, J.S, Eisenberg, D.S, Tainer, J.A. | Deposit date: | 1995-12-07 | Release date: | 1996-03-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Unusual trigonal-planar copper configuration revealed in the atomic structure of yeast copper-zinc superoxide dismutase. Biochemistry, 35, 1996
|
|
2UGI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ugi by Molmil](/molmil-images/mine/2ugi) | PROTEIN MIMICRY OF DNA FROM CRYSTAL STRUCTURES OF THE URACIL GLYCOSYLASE INHIBITOR PROTEIN AND ITS COMPLEX WITH ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE | Descriptor: | IMIDAZOLE, URACIL-DNA GLYCOSYLASE INHIBITOR | Authors: | Putnam, C.D, Arvai, A.S, Mol, C.D, Tainer, J.A. | Deposit date: | 1998-11-06 | Release date: | 1999-03-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein mimicry of DNA from crystal structures of the uracil-DNA glycosylase inhibitor protein and its complex with Escherichia coli uracil-DNA glycosylase J.Mol.Biol., 287, 1999
|
|
2W36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w36 by Molmil](/molmil-images/mine/2w36) | Structures of endonuclease V with DNA reveal initiation of deaminated adenine repair | Descriptor: | 5'-D(*CP*GP*AP*TP*CP*TP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*BRUP*AP*CP*IP*GP*AP*BRUP*CP*GP)-3', ENDONUCLEASE V | Authors: | Dalhus, B, Arvai, A.S, Rosnes, I, Olsen, O.E, Backe, P.H, Alseth, I, Gao, H, Cao, W, Tainer, J.A, Bjoras, M. | Deposit date: | 2008-11-06 | Release date: | 2009-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of Endonuclease V with DNA Reveal Initiation of Deaminated Adenine Repair. Nat.Struct.Mol.Biol., 16, 2009
|
|
1BUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1buh by Molmil](/molmil-images/mine/1buh) | |
1AY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ay2 by Molmil](/molmil-images/mine/1ay2) | STRUCTURE OF THE FIBER-FORMING PROTEIN PILIN AT 2.6 ANGSTROMS RESOLUTION | Descriptor: | HEPTANE-1,2,3-TRIOL, PLATINUM (II) ION, TYPE 4 PILIN, ... | Authors: | Forest, K.T, Parge, H.E, Tainer, J.A. | Deposit date: | 1997-11-13 | Release date: | 1998-04-29 | Last modified: | 2023-02-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the fibre-forming protein pilin at 2.6 A resolution. Nature, 378, 1995
|
|
1AV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1av8 by Molmil](/molmil-images/mine/1av8) | RIBONUCLEOTIDE REDUCTASE R2 SUBUNIT FROM E. COLI | Descriptor: | MU-OXO-DIIRON, RIBONUCLEOTIDE REDUCTASE R2 | Authors: | Han, S, Arvai, A, Tainer, J.A. | Deposit date: | 1997-09-30 | Release date: | 1998-10-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Characterization of Y122F R2 of Escherichia coli ribonucleotide reductase by time-resolved physical biochemical methods and X-ray crystallography. Biochemistry, 37, 1998
|
|