2ICA
| CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S, 9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid | Descriptor: | 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID, Integrin alpha-L | Authors: | Sheriff, S, Einspahr, H. | Deposit date: | 2006-09-12 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Discovery and Development of 5-[(5S,9R)-9- (4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1- methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non- 7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)-A Small Molecule Antagonist Leukocyte Function Associated Antigen-1. J.Med.Chem., 49, 2006
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3LGT
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2ID9
| 1.85 A Structure of T87I/Y106W Phosphono-CheY | Descriptor: | Chemotaxis protein cheY | Authors: | Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D. | Deposit date: | 2006-09-14 | Release date: | 2007-09-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides. Arch.Biochem.Biophys., 479, 2008
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3LH3
| DFP modified DegS delta PDZ | Descriptor: | Protease degS | Authors: | Sohn, J, Grant, R.A, Sauer, R.T. | Deposit date: | 2010-01-21 | Release date: | 2010-08-25 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.35 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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2IFQ
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7E73
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2IL8
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7E75
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2IWJ
| SOLUTION STRUCTURE OF THE ZN COMPLEX OF HIV-2 NCP(23-49) PEPTIDE, ENCOMPASSING PROTEIN CCHC-LINKER, DISTAL CCHC ZN-BINDING MOTIF AND C- TERMINAL TAIL. | Descriptor: | GAG-POL POLYPROTEIN, ZINC ION | Authors: | Amodeo, P, Castiglione Morelli, M.A, Ostuni, A, Cristinziano, P, Bavoso, A. | Deposit date: | 2006-06-30 | Release date: | 2007-10-09 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural Features of the C-Terminal Zinc Finger Domain of the HIV-2 Nc Protein (Residues 23-49). To be Published
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2J0I
| CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE PAK 4 | Authors: | Debreczeni, J.E, Eswaran, J, Ugochukwu, E, Papagrigoriou, E, Turnbull, A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Knapp, S. | Deposit date: | 2006-08-03 | Release date: | 2006-08-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Human P21-Activated Kinase 4 To be Published
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2J9J
| Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor JG-365 | Descriptor: | ACETATE ION, GLYCEROL, INHIBITOR MOLECULE JG365, ... | 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 (1.04 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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3LTE
| CRYSTAL STRUCTURE OF RESPONSE REGULATOR (SIGNAL RECEIVER DOMAIN) FROM Bermanella marisrubri | Descriptor: | GLYCEROL, PHOSPHATE ION, Response regulator | Authors: | Patskovsky, Y, Toro, R, Gilmore, M, Miller, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-02-15 | Release date: | 2010-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CRYSTAL STRUCTURE OF RESPONSE REGULATOR SIGNAL RECEIVER DOMAIN FROM Bermanella marisrubri RED65 To be Published
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2IY9
| Crystal structure of the A-subunit of the AB5 toxin from E. coli | Descriptor: | SUBA | Authors: | Paton, A.W, Beddoe, T, Thorpe, C.M, Whisstock, J.C, Wilce, M.C.J, Rossjohn, J, Talbot, U.M, Paton, J.C. | Deposit date: | 2006-07-13 | Release date: | 2006-10-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ab5 Subtilase Cytotoxin Inactivates the Endoplasmic Reticulum Chaperone Bip Nature, 443, 2006
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3LW2
| Mouse Plasminogen Activator Inhibitor-1 (PAI-1) | Descriptor: | Plasminogen activator inhibitor 1 | Authors: | Dewilde, M, Van De Craen, B, Compernolle, G, Madsen, J.B, Strelkov, S.V, Gils, A, Declerck, P.J. | Deposit date: | 2010-02-23 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Subtle structural differences between human and mouse PAI-1 reveal the basis for biochemical differences. J.Struct.Biol., 171, 2010
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3LYZ
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2IXF
| Crystal structure of the ATPase domain of TAP1 with ATP (D645Q, Q678H mutant) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, GLYCEROL, ... | Authors: | Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. | Deposit date: | 2006-07-08 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter. Mol.Cell, 24, 2001
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3LXH
| Crystal Structure of Cytochrome P450 CYP101D1 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Cytochrome P450, PHOSPHATE ION, ... | Authors: | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2010-02-25 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444 J.Biol.Chem., 285, 2010
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2IWR
| Gtpase Like Domain Of Centaurin Gamma 1 (Human) | Descriptor: | CENTAURIN GAMMA 1 | Authors: | Elkins, J.M, Soundararajan, M, Yang, X, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-07-03 | Release date: | 2006-07-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Centaurin Gamma-1 Gtpase-Like Domain Functions as an Ntpase. Biochem.J., 401, 2007
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3LRI
| Solution structure and backbone dynamics of long-[Arg(3)]insulin-like growth factor-I | Descriptor: | PROTEIN (INSULIN-LIKE GROWTH FACTOR I) | Authors: | Laajoki, L.G, Francis, G.L, Wallace, J.C, Carver, J.A, Keniry, M.A. | Deposit date: | 1999-04-13 | Release date: | 2000-05-23 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of long-[Arg(3)]insulin-like growth factor-I J.Biol.Chem., 275, 2000
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3LR9
| X-ray photogenerated ferrous horse heart myoglobin, nitrite adduct | Descriptor: | Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yi, J, Orville, A.M, Richter-Addo, G.B. | Deposit date: | 2010-02-10 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Synchrotron X-ray-Induced Photoreduction of Ferric Myoglobin Nitrite Crystals Gives the Ferrous Derivative with Retention of the O-Bonded Nitrite Ligand. Biochemistry, 49, 2010
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7BJD
| Crystal structure of CHK1-10pt-mutant complex with compound 3 | Descriptor: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-14 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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2J1M
| P450 BM3 Heme domain in complex with DMSO | Descriptor: | CYTOCHROME P450 102, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U. | Deposit date: | 2006-08-14 | Release date: | 2007-05-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3. J.Am.Chem.Soc., 129, 2007
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7BK3
| Crystal structure of CHK1-10pt-mutant complex with compound 45 | Descriptor: | 4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-15 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJH
| Crystal structure of CHK1-10pt-mutant complex with compound 8 | Descriptor: | CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-14 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJM
| Crystal structure of CHK1-10pt-mutant complex with compound 10 | Descriptor: | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-14 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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