7BEL
 
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-88 and COVOX-45 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COVOX-45 heavy chain, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7BEJ
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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3I81
 | | Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide] | | Descriptor: | 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor | | Authors: | Sack, J.S. | | Deposit date: | 2009-07-09 | | Release date: | 2009-12-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.
J.Med.Chem., 52, 2009
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4NXO
 | | Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768 | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Liang, W.G, Deprez, R, Deprez, B, Tang, W. | | Deposit date: | 2013-12-09 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
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6X2K
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5BNJ
 | | CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin- 4-yl}-2,8-diaza-spiro[4.5]decan-1-one | | Descriptor: | 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, Cyclin-dependent kinase 8, ... | | Authors: | Musil, D, Blagg, J, Wienke, D. | | Deposit date: | 2015-05-26 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Nat.Chem.Biol., 11, 2015
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6R9W
 | | Crystal structure of InhA in complex with AP-124 inhibitor | | Descriptor: | (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Takebayashi, Y, Hinchliffe, P, Spencer, J. | | Deposit date: | 2019-04-04 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.
J.Chem.Inf.Model., 60, 2020
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2HZN
 | | Abl kinase domain in complex with NVP-AFG210 | | Descriptor: | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | Deposit date: | 2006-08-09 | | Release date: | 2007-01-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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6RCF
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH | | Descriptor: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid, NITRATE ION, Protein enabled homolog | | Authors: | Barone, M, Roske, Y. | | Deposit date: | 2019-04-11 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WFT
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6RCJ
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe | | Descriptor: | GLYCEROL, NITRATE ION, Protein enabled homolog, ... | | Authors: | Barone, M, Roske, Y. | | Deposit date: | 2019-04-11 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6RD2
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-TEDEL-NH2 | | Descriptor: | (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, GLYCEROL, NITRATE ION, ... | | Authors: | Barone, M, Roske, Y. | | Deposit date: | 2019-04-12 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2HZI
 | | Abl kinase domain in complex with PD180970 | | Descriptor: | 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | Deposit date: | 2006-08-09 | | Release date: | 2007-01-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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2HZ0
 | | Abl kinase domain in complex with NVP-AEG082 | | Descriptor: | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | Deposit date: | 2006-08-08 | | Release date: | 2007-01-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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4RE9
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 71290 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-5-yl}methyl)benzamide, ... | | Authors: | Liang, W.G, Deprez, R, Deprez, B, Tang, W.J. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.908 Å) | | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
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2HZ4
 | | Abl kinase domain unligated and in complex with tetrahydrostaurosporine | | Descriptor: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | Deposit date: | 2006-08-08 | | Release date: | 2007-01-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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2HWB
 | | A comparison of the anti-rhinoviral drug binding pocket in hrv14 and hrv1a | | Descriptor: | 5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | | Authors: | Kim, K.H, Rossmann, M.G. | | Deposit date: | 1994-01-25 | | Release date: | 1994-11-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
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2HWC
 | | A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A | | Descriptor: | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | | Authors: | Kim, K.H, Rossmann, M.G. | | Deposit date: | 1994-01-25 | | Release date: | 1994-11-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
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2HWF
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2HWE
 | | A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A | | Descriptor: | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP2), ... | | Authors: | Kim, K.H, Rossmann, M.G. | | Deposit date: | 1994-01-25 | | Release date: | 1994-09-30 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
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2HWD
 | | A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A | | Descriptor: | 5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP2), ... | | Authors: | Kim, K.H, Rossmann, M.G. | | Deposit date: | 1994-01-25 | | Release date: | 1994-09-30 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
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7BBG
 | | CRYSTAL STRUCTURE OF HLA-A2-WT1-RMF AND FAB 11D06 | | Descriptor: | Beta-2-microglobulin, Heavy chain of Fab fragment 11D06, Light chain of Fab fragment 11D06, ... | | Authors: | Bujotzek, A, Georges, G, Hanisch, L.J, Klein, C, Benz, J. | | Deposit date: | 2020-12-17 | | Release date: | 2021-10-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Targeting intracellular WT1 in AML with a novel RMF-peptide-MHC-specific T-cell bispecific antibody.
Blood, 138, 2021
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2HYY
 | | Human Abl kinase domain in complex with imatinib (STI571, Glivec) | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | Deposit date: | 2006-08-08 | | Release date: | 2007-01-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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4OBV
 | | Ruminococcus gnavus tryptophan decarboxylase RUMGNA_01526 (alpha-FMT) | | Descriptor: | Pyridoxal-dependent decarboxylase domain protein, alpha-(fluoromethyl)-D-tryptophan, {5-hydroxy-4-[(1E)-4-(1H-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate | | Authors: | Fraser, J.S, Van Benschoten, A.H. | | Deposit date: | 2014-01-07 | | Release date: | 2014-10-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery and Characterization of Gut Microbiota Decarboxylases that Can Produce the Neurotransmitter Tryptamine.
Cell Host Microbe, 16, 2014
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4OBU
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