3LNK
| Structure of BACE bound to SCH743813 | Descriptor: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | Authors: | Orth, P, Cumming, J. | Deposit date: | 2010-02-02 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
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7E99
| Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 13% oxygen saturation | Descriptor: | Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
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3L5D
| Structure of BACE Bound to SCH723873 | Descriptor: | 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID | Authors: | Strickland, C, Zhu, Z. | Deposit date: | 2009-12-21 | Release date: | 2010-02-16 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
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3LFE
| Human p38 MAP Kinase in Complex with RL116 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
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7E97
| Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 58% oxygen saturation | Descriptor: | Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
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3LGV
| H198P mutant of the DegS-deltaPDZ protease | Descriptor: | Protease degS | Authors: | Sohn, J, Grant, R.A, Sauer, R.T. | Deposit date: | 2010-01-21 | Release date: | 2010-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.734 Å) | Cite: | Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution. J.Biol.Chem., 285, 2010
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7E98
| Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 21% oxygen saturation | Descriptor: | Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
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7E96
| Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 69% oxygen saturation | Descriptor: | CALCIUM ION, Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, ... | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
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2J1L
| Crystal Structure of Human Rho-related GTP-binding protein RhoD | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RHO-RELATED GTP-BINDING PROTEIN RHOD | Authors: | Pike, A.C.W, Johansson, C, Gileadi, C, Niesen, F.H, Sobott, F, Schoch, G, Elkins, J, Smee, C, Gorrec, F, Watt, S, Bray, J, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D. | Deposit date: | 2006-08-14 | Release date: | 2006-09-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Human Rho-Related GTP-Binding Protein Rhod To be Published
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3LAW
| Structure of GTP-bound L129F mutant Rab7 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-7a | Authors: | McCray, B.A, Skordalakes, E, Taylor, J.P. | Deposit date: | 2010-01-07 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Disease mutations in Rab7 result in unregulated nucleotide exchange and inappropriate activation. Hum.Mol.Genet., 19, 2010
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2J9K
| Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor MVT-101 | Descriptor: | ACETATE ION, GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, ... | Authors: | Malito, E, Shen, Y, Johnson, E.C.B, Tang, W.J. | Deposit date: | 2006-11-11 | Release date: | 2007-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Insights from Atomic-Resolution X-Ray Structures of Chemically Synthesized HIV-1 Protease in Complex with Inhibitors. J.Mol.Biol., 373, 2007
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2J9M
| Crystal Structure of CDK2 in complex with Macrocyclic Aminopyrimidine | Descriptor: | 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Schaefer, M, Luecking, U, Siemeister, G, Briem, H, Krueger, M, Lienau, P, Jautelat, R. | Deposit date: | 2006-11-13 | Release date: | 2007-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Macrocyclic Aminopyrimidines as Multitarget Cdk and Vegf-R Inhibitors with Potent Antiproliferative Activities. Chemmedchem, 2, 2007
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2J9N
| Robotically harvested Trypsin complexed with Benzamidine containing polypeptide mediated crystal contacts | Descriptor: | BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Viola, R, Carman, P, Walsh, J, Miller, E, Benning, M, Frankel, D, McPherson, A, Cudney, R, Rupp, B. | Deposit date: | 2006-11-14 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Operator Assisted Harvesting of Protein Crystals Using a Universal Micromanipulation Robot. J.Appl.Crystallogr., 40, 2007
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3LDM
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7DWH
| Complex structure of SAM-dependent methyltransferase ribozyme | Descriptor: | COPPER (II) ION, RNA (45-MER), S-ADENOSYLMETHIONINE, ... | Authors: | Jiang, H.Y, Gao, Y.Q, Chen, D.R, Murchie, A. | Deposit date: | 2021-01-17 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The identification and characterization of a selected SAM-dependent methyltransferase ribozyme that is present in natural sequences Nat Catal, 4, 2021
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3LFB
| Human p38 MAP Kinase in Complex with RL98 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
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2JAV
| Human Kinase with pyrrole-indolinone ligand | Descriptor: | 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Pike, A.C.W, Rellos, P, Das, S, Fedorov, O, Papagrigoriou, E, Debreczeni, J.E, Turnbull, A.P, Gorrec, F, Bray, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A, Weigelt, J, von Delft, F, Knapp, S. | Deposit date: | 2006-11-30 | Release date: | 2006-12-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Regulation of the Human Nek2 Centrosomal Kinase J.Biol.Chem., 282, 2007
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7E1T
| Crystal structure of Rab9A-GTP-Nde1 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Isoform 2 of Nuclear distribution protein nudE homolog 1, MAGNESIUM ION, ... | Authors: | Zhang, Y, Zhang, T, Ding, J. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Nde1 is a Rab9 effector for loading late endosomes to cytoplasmic dynein motor complex. Structure, 30, 2022
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3LFQ
| Crystal structure of CDK2 with SAR60, an aminoindazole type inhibitor | Descriptor: | Cell division protein kinase 2, N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | Deposit date: | 2010-01-18 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg.Med.Chem.Lett., 20, 2010
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3LGW
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3LIV
| crystal structure of HTLV protease complexed with the inhibitor KNI-10683 | Descriptor: | (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, Protease | Authors: | Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. | Deposit date: | 2010-01-25 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
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7DW5
| Crystal structure of DUX4 HD1-HD2 domain complexed with ERG sites | Descriptor: | BROMIDE ION, DNA (5'-D(P*CP*GP*AP*CP*TP*TP*GP*AP*TP*GP*AP*GP*AP*TP*TP*AP*GP*AP*CP*TP*G)-3'), Double homeobox protein 4-like protein 2 | Authors: | Zhang, H, Cheng, N, Li, Z, Zhang, W, Dong, X, Huang, J, Meng, G. | Deposit date: | 2021-01-15 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | DNA crosslinking and recombination-activating genes 1/2 (RAG1/2) are required for oncogenic splicing in acute lymphoblastic leukemia. Cancer Commun (Lond), 41, 2021
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2JC6
| Crystal structure of human calmodulin-dependent protein kinase 1D | Descriptor: | CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE 1D, N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | Authors: | Debreczeni, J.E, Rellos, P, Fedorov, O, Niesen, F.H, Bhatia, C, Shrestha, L, Salah, E, Smee, C, Colebrook, S, Berridge, G, Gileadi, O, Bunkoczi, G, Ugochukwu, E, Pike, A.C.W, von Delft, F, Knapp, S, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A. | Deposit date: | 2006-12-19 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D To be Published
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3L9Y
| Crystal structures of holo and Cu-deficient Cu/ZnSOD from the silkworm Bombyx mori and the implications in Amyotrophic lateral sclerosis | Descriptor: | COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Zhang, N.-N, He, Y.-X, Li, W.-F, Zhao, F, Yan, L.-F, Zhang, G.-Z, Teng, Y.-B, Yu, J, Chen, Y, Zhou, C.-Z. | Deposit date: | 2010-01-06 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of holo and Cu-deficient Cu/Zn-SOD from the silkworm Bombyx mori and the implications in amyotrophic lateral sclerosis. Proteins, 78, 2010
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7E72
| Crystal structure of Tie2-agonistic antibody in complex with human Tie2 Fn2-3 | Descriptor: | 1,2-ETHANEDIOL, Angiopoietin-1 receptor, the chimeric Fab fragment of 3H7 (heavy chain), ... | Authors: | Kim, H.M, Jo, G.H, Hong, H.J, Han, A. | Deposit date: | 2021-02-25 | Release date: | 2021-11-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | Structural insights into the clustering and activation of Tie2 receptor mediated by Tie2 agonistic antibody. Nat Commun, 12, 2021
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