6NNV
 
 | | PD-L1 IgV domain complex with macro-cyclic peptide | | Descriptor: | Programmed cell death 1 ligand 1, macrocyclic peptide | | Authors: | Zhao, B, Perry, E. | | Deposit date: | 2019-01-15 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
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6NOJ
 | | PD-L1 IgV domain V76T with fragment | | Descriptor: | Programmed cell death 1 ligand 1, methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate | | Authors: | Zhao, B, Perry, E. | | Deposit date: | 2019-01-16 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
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6NM7
 | | PD-L1 IgV domain bound to fragment | | Descriptor: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, Programmed cell death 1 ligand 1 | | Authors: | Perry, E, Zhao, B. | | Deposit date: | 2019-01-10 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.426 Å) | | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
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1EGA
 | | CRYSTAL STRUCTURE OF A WIDELY CONSERVED GTPASE ERA | | Descriptor: | PROTEIN (GTP-BINDING PROTEIN ERA), SULFATE ION | | Authors: | Chen, X, Ji, X. | | Deposit date: | 1998-12-01 | | Release date: | 1999-07-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of ERA: a GTPase-dependent cell cycle regulator containing an RNA binding motif.
Proc.Natl.Acad.Sci.USA, 96, 1999
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6XJP
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6XJT
 | | Crystal Structure of KPT-8602 bound to CRM1 (537-DLTVK-541 to GLCEQ) | | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ... | | Authors: | Baumhardt, J.M, Chook, Y.M. | | Deposit date: | 2020-06-24 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
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6D9X
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, SODIUM ION, WD repeat-containing protein 5 | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-04-30 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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6DAI
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline, DIMETHYL SULFOXIDE, WD repeat-containing protein 5 | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-05-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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6DAR
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ... | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-05-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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6DAS
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide, WD repeat-containing protein 5 | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-05-01 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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6DAK
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5 | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-05-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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6GJ5
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | | Descriptor: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6GJ7
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22 | | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6GJ6
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18 | | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.761 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6GJ8
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852 | | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5GTB
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3LYE
 | | Crystal structure of oxaloacetate acetylhydrolase | | Descriptor: | CALCIUM ION, Oxaloacetate acetyl hydrolase | | Authors: | Herzberg, O, Chen, C. | | Deposit date: | 2010-02-26 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
J.Biol.Chem., 285, 2010
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3M0K
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3M0J
 | | Structure of oxaloacetate acetylhydrolase in complex with the inhibitor 3,3-difluorooxalacetate | | Descriptor: | 2,2-difluoro-3,3-dihydroxybutanedioic acid, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Herzberg, O, Chen, C. | | Deposit date: | 2010-03-03 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
J.Biol.Chem., 285, 2010
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5HAD
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5ICA
 | | Structure of the CTD complex of UTP12, Utp13, Utp1 and Utp21 | | Descriptor: | Periodic tryptophan protein 2-like protein, Putative U3 snoRNP protein, Putative uncharacterized protein | | Authors: | Zhang, C, Ye, K. | | Deposit date: | 2016-02-23 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.507 Å) | | Cite: | Integrative structural analysis of the UTPB complex, an early assembly factor for eukaryotic small ribosomal subunits
Nucleic Acids Res., 44, 2016
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5IC7
 | | Structure of the WD domain of UTP18 | | Descriptor: | Putative uncharacterized protein, SULFATE ION | | Authors: | Zhang, C, Ye, K. | | Deposit date: | 2016-02-22 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.331 Å) | | Cite: | Integrative structural analysis of the UTPB complex, an early assembly factor for eukaryotic small ribosomal subunits
Nucleic Acids Res., 44, 2016
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5IC9
 | | Structure of the CTD complex of Utp12 and Utp13 | | Descriptor: | Putative uncharacterized protein | | Authors: | Zhang, C, Ye, K. | | Deposit date: | 2016-02-23 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Integrative structural analysis of the UTPB complex, an early assembly factor for eukaryotic small ribosomal subunits
Nucleic Acids Res., 44, 2016
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5IC8
 | | Structure of UTP6 | | Descriptor: | Putative uncharacterized protein | | Authors: | Zhang, C, Ye, K. | | Deposit date: | 2016-02-23 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Integrative structural analysis of the UTPB complex, an early assembly factor for eukaryotic small ribosomal subunits
Nucleic Acids Res., 44, 2016
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5JLJ
 | | Crystal Structure of KPT8602 in complex with CRM1-Ran-RanBP1 | | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, CHLORIDE ION, Exportin-1, ... | | Authors: | Fung, H.Y, Chook, Y.M. | | Deposit date: | 2016-04-27 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Next-generation XPO1 inhibitor shows improved efficacy and in vivo tolerability in hematological malignancies.
Leukemia, 30, 2016
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