8S0I
 
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.929 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8S01
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8S0Q
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.872 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8S0K
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8S0S
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8S0H
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8S04
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | N-(1H-indol-7-yl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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3WO7
 | | Crystal structure of YidC from Bacillus halodurans (form II) | | Descriptor: | COPPER (II) ION, Membrane protein insertase YidC 2 | | Authors: | Kumazaki, K, Tsukazaki, T, Ishitani, R, Nureki, O. | | Deposit date: | 2013-12-20 | | Release date: | 2014-04-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.201 Å) | | Cite: | Structural basis of Sec-independent membrane protein insertion by YidC.
Nature, 509, 2014
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3WO6
 | | Crystal structure of YidC from Bacillus halodurans (form I) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CADMIUM ION, Membrane protein insertase YidC 2 | | Authors: | Kumazaki, K, Tsukazaki, T, Ishitani, R, Nureki, O. | | Deposit date: | 2013-12-20 | | Release date: | 2014-04-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Structural basis of Sec-independent membrane protein insertion by YidC.
Nature, 509, 2014
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1RMS
 | | CRYSTAL STRUCTURES OF RIBONUCLEASE MS COMPLEXED WITH 3'-GUANYLIC ACID A GP*C ANALOGUE, 2'-DEOXY-2'-FLUOROGUANYLYL-3',5'-CYTIDINE | | Descriptor: | GUANOSINE-3'-MONOPHOSPHATE, RIBONUCLEASE MS | | Authors: | Nonaka, T, Mitsui, Y, Nakamura, K.T. | | Deposit date: | 1991-12-02 | | Release date: | 1992-07-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of ribonuclease Ms (as a ribonuclease T1 homologue) complexed with a guanylyl-3',5'-cytidine analogue.
Biochemistry, 32, 1993
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6LIV
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1NCS
 | | NMR STUDY OF SWI5 ZINC FINGER DOMAIN 1 | | Descriptor: | TRANSCRIPTIONAL FACTOR SWI5, ZINC ION | | Authors: | Dutnall, R.N, Neuhaus, D, Rhodes, D. | | Deposit date: | 1996-02-26 | | Release date: | 1996-06-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the first zinc finger domain of SWI5: a novel structural extension to a common fold.
Structure, 4, 1996
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6C4D
 | | Structure based design of RIP1 kinase inhibitors | | Descriptor: | (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Saikatendu, K.S, Yoshikawa, M. | | Deposit date: | 2018-01-11 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
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6C3E
 | | CRYSTAL STRUCTURE OF RIP1 KINASE BOUND TO INHIBITOR | | Descriptor: | 2-benzyl-5-nitro-1H-benzimidazole, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Saikatendu, K.S, Yoshikawa, M. | | Deposit date: | 2018-01-09 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
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8GOH
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8GOI
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3EI2
 | | Structure of hsDDB1-drDDB2 bound to a 16 bp abasic site containing DNA-duplex | | Descriptor: | 5'-D(*DAP*DAP*DAP*DTP*DGP*DAP*DAP*DTP*(3DR)P*DAP*DAP*DGP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DCP*DTP*DTP*DTP*DAP*DTP*DTP*DCP*DAP*DTP*DTP*DT)-3', DNA damage-binding protein 1, ... | | Authors: | Scrima, A, Thoma, N.H. | | Deposit date: | 2008-09-15 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
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3EI4
 | | Structure of the hsDDB1-hsDDB2 complex | | Descriptor: | DNA damage-binding protein 1, DNA damage-binding protein 2 | | Authors: | Scrima, A, Pavletich, N.P, Thoma, N.H. | | Deposit date: | 2008-09-15 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
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3EI3
 | | Structure of the hsDDB1-drDDB2 complex | | Descriptor: | DNA damage-binding protein 1, DNA damage-binding protein 2, TETRAETHYLENE GLYCOL | | Authors: | Scrima, A, Thoma, N.H. | | Deposit date: | 2008-09-15 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
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2DQI
 | | Crystal structure of hyhel-10 FV mutant (Ly50a) complexed with hen egg lysozyme | | Descriptor: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | | Authors: | Shiroishi, M, Kondo, H, Tsumoto, K, Kumagai, I. | | Deposit date: | 2006-05-26 | | Release date: | 2007-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural consequences of mutations in interfacial Tyr residues of a protein antigen-antibody complex. The case of HyHEL-10-HEL
J.Biol.Chem., 282, 2007
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2DQF
 | | Crystal structure of hyhel-10 FV mutant (y33ay53a) complexed with hen egg lysozyme | | Descriptor: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | | Authors: | Shiroishi, M, Kondo, H, Tsumoto, K, Kumagai, I. | | Deposit date: | 2006-05-25 | | Release date: | 2007-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural consequences of mutations in interfacial Tyr residues of a protein antigen-antibody complex. The case of HyHEL-10-HEL
J.Biol.Chem., 282, 2007
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2DQG
 | | Crystal structure of hyhel-10 FV mutant (Hy53f) complexed with hen egg lysozyme | | Descriptor: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | | Authors: | Shiroishi, M, Kondo, H, Tsumoto, K, Kumagai, I. | | Deposit date: | 2006-05-25 | | Release date: | 2007-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural consequences of mutations in interfacial Tyr residues of a protein antigen-antibody complex. The case of HyHEL-10-HEL
J.Biol.Chem., 282, 2007
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2DQC
 | | Crystal structure of hyhel-10 FV mutant(Hy33f) complexed with hen egg lysozyme | | Descriptor: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | | Authors: | Shiroishi, M, Kondo, H, Tsumoto, K, Kumagai, I. | | Deposit date: | 2006-05-25 | | Release date: | 2007-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural consequences of mutations in interfacial Tyr residues of a protein antigen-antibody complex. The case of HyHEL-10-HEL
J.Biol.Chem., 282, 2007
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2DQD
 | | Crystal structure of hyhel-10 FV mutant (Hy50f) complexed with hen egg lysozyme | | Descriptor: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | | Authors: | Shiroishi, M, Kondo, H, Tsumoto, K, Kumagai, I. | | Deposit date: | 2006-05-25 | | Release date: | 2007-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural consequences of mutations in interfacial Tyr residues of a protein antigen-antibody complex. The case of HyHEL-10-HEL
J.Biol.Chem., 282, 2007
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2DQH
 | | Crystal structure of hyhel-10 FV mutant (Hy58a) complexed with hen egg lysozyme | | Descriptor: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | | Authors: | Shiroishi, M, Kondo, H, Tsumoto, K, Kumagai, I. | | Deposit date: | 2006-05-26 | | Release date: | 2007-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural consequences of mutations in interfacial Tyr residues of a protein antigen-antibody complex. The case of HyHEL-10-HEL
J.Biol.Chem., 282, 2007
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