3I3N
 
 | | Crystal structure of the BTB-BACK domains of human KLHL11 | | Descriptor: | CHLORIDE ION, Kelch-like protein 11, THIOCYANATE ION | | Authors: | Murray, J.W, Cooper, C.D.O, Krojer, T, Mahajan, P, Salah, E, Keates, T, Savitsky, P, Pike, A.C.W, Roos, A, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-06-30 | | Release date: | 2009-08-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the BTB-BACK domains of human KLHL11
To be Published
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2WNS
 | | Human Orotate phosphoribosyltransferase (OPRTase) domain of Uridine 5' -monophosphate synthase (UMPS) in complex with its substrate orotidine 5'-monophosphate (OMP) | | Descriptor: | CHLORIDE ION, OROTATE PHOSPHORIBOSYLTRANSFERASE, OROTIDINE-5'-MONOPHOSPHATE | | Authors: | Moche, M, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotyenova, T, Kotzch, A, Nielsen, T.K, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P. | | Deposit date: | 2009-07-19 | | Release date: | 2009-08-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human Orotate Phosphoribosyltransferase (Oprtase) Domain of Uridine 5'-Monophosphate Synthase (Umps) in Complex with its Substrate Orotidine 5'-Monophosphate (Omp)
To be Published
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2X7F
 | | Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | | Authors: | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | | Deposit date: | 2010-02-26 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor
To be Published
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3H8Q
 | | Crystal structure of glutaredoxin domain of human thioredoxin reductase 3 | | Descriptor: | CHLORIDE ION, SULFATE ION, Thioredoxin reductase 3 | | Authors: | Chaikuad, A, Johansson, C, Ugochukwu, E, Roos, A.K, von Delft, F, Pilka, E, Yue, W, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-29 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of glutaredoxin domain of human thioredoxin reductase 3
To be Published
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2VSW
 | | The structure of the rhodanese domain of the human dual specificity phosphatase 16 | | Descriptor: | DUAL SPECIFICITY PROTEIN PHOSPHATASE 16 | | Authors: | Murray, J.W, Barr, A, Pike, A.C.W, Elkins, J, Phillips, C, Wang, J, Savitsky, P, Roos, A, Bishop, S, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Burgess-Brown, N, Pantic, N, Bray, J, von Delft, F, Gileadi, O, Knapp, S. | | Deposit date: | 2008-04-30 | | Release date: | 2008-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structure of the Rhodanese Domain of the Human Dual Specifity Phosphatase 16
To be Published
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3V2B
 | | Human poly(adp-ribose) polymerase 15 (ARTD7, BAL3), macro domain 2 in complex with adenosine-5-diphosphoribose | | Descriptor: | Poly [ADP-ribose] polymerase 15, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Kotzcsh, A, Kraulis, P, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van den berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-12 | | Release date: | 2011-12-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
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2VX2
 | | Crystal structure of human enoyl Coenzyme A hydratase domain- containing protein 3 (ECHDC3) | | Descriptor: | ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3 | | Authors: | Yue, W.W, Guo, K, Kochan, G, Pilka, E, Murray, J.W, Salah, E, Cocking, R, Sun, Z, Roos, A.K, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2008-06-30 | | Release date: | 2008-10-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Human Enoyl Coenzyme a Hydratase Domain-Containing Protein 3 (Echdc3)
To be Published
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2VRF
 | | CRYSTAL STRUCTURE OF THE HUMAN BETA-2-SYNTROPHIN PDZ DOMAIN | | Descriptor: | 1,2-ETHANEDIOL, BETA-2-SYNTROPHIN | | Authors: | Sun, Z, Roos, A.K, Pike, A.C.W, Pilka, E.S, Cooper, C, Elkins, J.M, Murray, J, Arrowsmith, C.H, Doyle, D, Edwards, A, von Delft, F, Bountra, C, Oppermann, U. | | Deposit date: | 2008-03-31 | | Release date: | 2008-04-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Human Beta-2-Syntrophin Pdz Domain
To be Published
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2WBI
 | | Crystal structure of human acyl-CoA dehydrogenase 11 | | Descriptor: | ACYL-COA DEHYDROGENASE FAMILY MEMBER 11, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ... | | Authors: | Muniz, J.R.C, Guo, K, Savitsky, P, Roos, A, Yue, W, Pilka, E, von Delft, F, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Oppermann, U. | | Deposit date: | 2009-02-28 | | Release date: | 2009-05-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Human Acyl-Coa Dehydrogenase 11
To be Published
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2VSV
 | | Crystal structure of the PDZ domain of human rhophilin-2 | | Descriptor: | RHOPHILIN-2 | | Authors: | Pike, A.C.W, Kochan, G, Sun, Z, Shafqat, N, Pilka, E.S, Roos, A, Elkins, J, Burgess-Brown, N, Murray, J.W, von Delft, F, Wikstrom, M, Edwards, A, Arrowsmith, C.H, Bountra, C, Oppermann, U. | | Deposit date: | 2008-04-29 | | Release date: | 2008-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal Structure of the Pdz Domain of Human Rhophilin-2
To be Published
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2W0I
 | | Structure Of C-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain Of Human Twinfilin-2 | | Descriptor: | TWINFILIN-2 | | Authors: | Elkins, J.M, Pike, A.C.W, Salah, E, Savitsky, P, Murray, J.W, Roos, A, von Delft, F, Edwards, A, Arrowsmith, C.H, Wikstrom, M, Bountra, C, Knapp, S. | | Deposit date: | 2008-08-18 | | Release date: | 2008-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of C-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain of Human Twinfilin- 2
To be Published
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2W4M
 | | The Crystal Structure of human N-acetylneuraminic acid phosphatase, NANP | | Descriptor: | CHLORIDE ION, N-ACYLNEURAMINATE-9-PHOSPHATASE, PHOSPHATE ION, ... | | Authors: | Ugochukwu, E, Cocking, R, Yue, W.W, Pike, A.C.W, Roos, A, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | | Deposit date: | 2008-11-28 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Crystal Structure of Human N-Acetylneuraminic Acid Phosphatase, Nanp
To be Published
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2W4F
 | | CRYSTAL STRUCTURE OF THE FIRST PDZ DOMAIN OF HUMAN SCRIB1 | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN LAP4 | | Authors: | Hozjan, V, Pilka, E.S, Roos, A.K, W Yue, W, Phillips, C, Bray, J, Cooper, C, Salah, E, Elkins, J.M, Muniz, J.R.C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, von Delft, F, Bountra, C, Doyle, D.A, Oppermann, U. | | Deposit date: | 2008-11-25 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of the First Pdz Domain of Human Scrib1
To be Published
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2WM3
 | | Crystal structure of NmrA-like family domain containing protein 1 in complex with niflumic acid | | Descriptor: | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Bhatia, C, Yue, W.W, Niesen, F, Pilka, E, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2009-06-29 | | Release date: | 2009-08-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid
To be Published
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2BOF
 | | Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in complex with cellotetrose | | Descriptor: | ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | | Deposit date: | 2005-04-10 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Biochemistry, 44, 2005
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2BOD
 | | Catalytic domain of endo-1,4-glucanase Cel6A from Thermobifida fusca in complex with methyl cellobiosyl-4-thio-beta-cellobioside | | Descriptor: | ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside | | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | | Deposit date: | 2005-04-10 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Biochemistry, 44, 2005
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2BOG
 | | Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in complex with methyl cellobiosyl-4-thio-beta- cellobioside | | Descriptor: | ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside | | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | | Deposit date: | 2005-04-10 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Biochemistry, 44, 2005
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2BOE
 | | Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca | | Descriptor: | ENDOGLUCANASE E-2 | | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | | Deposit date: | 2005-04-10 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Biochemistry, 44, 2005
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2VVQ
 | | Crystal structure of Mycobacterium tuberculosis ribose-5-phosphate isomerase B in complex with the inhibitor 5-deoxy-5-phospho-D- ribonate | | Descriptor: | 5-O-phosphono-D-ribonic acid, RIBOSE-5-PHOSPHATE ISOMERASE B, SULFATE ION | | Authors: | Kowalinski, E, Roos, A.K, Mariano, S, Salmon, L, Mowbray, S.L. | | Deposit date: | 2008-06-10 | | Release date: | 2008-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | D-Ribose-5-Phosphate Isomerase B from Escherichia Coli is Also a Functional D-Allose-6-Phosphate Isomerase, While the Mycobacterium Tuberculosis Enzyme is not.
J.Mol.Biol., 382, 2008
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2A74
 | | Human Complement Component C3c | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Complement Component C3c, GLYCEROL, ... | | Authors: | Janssen, B.J.C, Huizinga, E.G, Raaijmakers, H.C.A, Roos, A, Daha, M.R, Nilsson-Ekdahl, K, Nilsson, B, Gros, P. | | Deposit date: | 2005-07-04 | | Release date: | 2005-09-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of complement component C3 provide insights into the function and evolution of immunity.
Nature, 437, 2005
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2VVP
 | | Crystal structure of Mycobacterium tuberculosis ribose-5-phosphate isomerase B in complex with its substrates ribose 5-phosphate and ribulose 5-phosphate | | Descriptor: | 5-O-phosphono-D-ribose, RIBOSE-5-PHOSPHATE ISOMERASE B, RIBULOSE-5-PHOSPHATE | | Authors: | Kowalinski, E, Roos, A.K, Mariano, S, Salmon, L, Mowbray, S.L. | | Deposit date: | 2008-06-10 | | Release date: | 2008-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | D-Ribose-5-Phosphate Isomerase B from Escherichia Coli is Also a Functional D-Allose-6-Phosphate Isomerase, While the Mycobacterium Tuberculosis Enzyme is not.
J.Mol.Biol., 382, 2008
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2A73
 | | Human Complement Component C3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Janssen, B.J.C, Huizinga, E.G, Raaijmakers, H.C.A, Roos, A, Daha, M.R, Nilsson-Ekdahl, K, Nilsson, B, Gros, P. | | Deposit date: | 2005-07-04 | | Release date: | 2005-09-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of complement component C3 provide insights into the function and evolution of immunity.
Nature, 437, 2005
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2WMD
 | | Crystal structure of NmrA-like family domain containing protein 1 in complex with NADP and 2-(4-chloro-phenylamino)-nicotinic acid | | Descriptor: | 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1 | | Authors: | Bhatia, C, Pilka, E, Niesen, F, Yue, W.W, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2009-06-30 | | Release date: | 2009-07-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Nmra-Like Family Domain Containing Protein 1
To be Published
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2VSP
 | | Crystal structure of the fourth PDZ domain of PDZ domain-containing protein 1 | | Descriptor: | PDZ DOMAIN-CONTAINING PROTEIN 1 | | Authors: | Yue, W.W, Shafqat, N, Pilka, E.S, Johansson, C, Murray, J.W, Elkins, J, Roos, A, Cooper, C, Phillips, C, Salah, E, von Delft, F, Doyle, D, Edwards, A, Wikstrom, M, Arrowsmith, C, Bountra, C, Oppermann, U. | | Deposit date: | 2008-04-28 | | Release date: | 2009-03-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal Structure of the Fourth Pdz Domain of Pdz Domain-Containing Protein 1
To be Published
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3CXW
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I | | Descriptor: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Pimtide peptide, ... | | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
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