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3EFW
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BU of 3efw by Molmil
Structure of AuroraA with pyridyl-pyrimidine urea inhibitor
Descriptor: 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6
Authors:Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D.
Deposit date:2008-09-10
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3E73
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BU of 3e73 by Molmil
Crystal Structure of Human LanCL1 complexed with GSH
Descriptor: GLUTATHIONE, LanC-like protein 1, ZINC ION
Authors:Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C.
Deposit date:2008-08-17
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
6IPZ
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BU of 6ipz by Molmil
Fyn SH3 domain R96W mutant, crystallized with 18-crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Tyrosine-protein kinase Fyn
Authors:Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
Deposit date:2018-11-05
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
5YFE
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BU of 5yfe by Molmil
Enzymatic and structural characterization of the poly (ethylene terephthalate) hydrolase PETase from I. sakaiensis
Descriptor: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Bao, R, He, L.H, Liu, B.
Deposit date:2017-09-21
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Protein Crystallography and Site-Direct Mutagenesis Analysis of the Poly(ethylene terephthalate) Hydrolase PETase from Ideonella sakaiensis.
Chembiochem, 2018
8IM7
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BU of 8im7 by Molmil
Human gamma-secretase treated with ganglioside GM1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, R, Yang, G, Shi, Y.
Deposit date:2023-03-06
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Preferential Regulation of Gamma-Secretase-Mediated Cleavage of APP by Ganglioside GM1 Reveals a Potential Therapeutic Target for Alzheimer's Disease.
Adv Sci, 10, 2023
5F54
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BU of 5f54 by Molmil
Structure of RecJ complexed with dTMP
Descriptor: MANGANESE (II) ION, Single-stranded-DNA-specific exonuclease, THYMIDINE-5'-PHOSPHATE
Authors:Hua, Y, Zhao, Y, Cheng, K.
Deposit date:2015-12-04
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for DNA 5 -end resection by RecJ
Elife, 5, 2016
5F56
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BU of 5f56 by Molmil
Structure of RecJ complexed with DNA and SSB-ct
Descriptor: ALA-ASP-LEU-PRO-PHE, DNA (5'-D(*CP*TP*GP*AP*TP*GP*GP*CP*A)-3'), MANGANESE (II) ION, ...
Authors:Zhao, Y, Hua, Y, Cheng, K.
Deposit date:2015-12-04
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for DNA 5 -end resection by RecJ
Elife, 5, 2016
5F55
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BU of 5f55 by Molmil
Structure of RecJ complexed with DNA
Descriptor: DNA (5'-D(*GP*AP*TP*GP*TP*AP*CP*GP*CP*TP*AP*GP*GP*C)-3'), MANGANESE (II) ION, SULFATE ION, ...
Authors:Hua, Y, Zhao, Y, Cheng, K.
Deposit date:2015-12-04
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for DNA 5 -end resection by RecJ
Elife, 5, 2016
3EWH
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BU of 3ewh by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridyl-pyrimidine benzimidazole inhibitor
Descriptor: 1,2-ETHANEDIOL, N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine, vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2008-10-15
Release date:2009-08-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3CJG
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BU of 3cjg by Molmil
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
Descriptor: N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2
Authors:Nolte, R.T.
Deposit date:2008-03-12
Release date:2008-10-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
5WO2
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BU of 5wo2 by Molmil
Chaperone Spy bound to Casein Fragment (Casein un-modeled)
Descriptor: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
8HLP
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BU of 8hlp by Molmil
Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 (apo)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wei, Y, Yu, Z, Zhao, Y.
Deposit date:2022-11-30
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
8HMB
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BU of 8hmb by Molmil
Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with benidipine (BEN)
Descriptor: (3R)-1-benzylpiperidin-3-yl methyl (2R,3R,4R,5R,6S)-2,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wei, Y, Yu, Z, Zhao, Y.
Deposit date:2022-12-02
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
8HMA
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BU of 8hma by Molmil
Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with tetrandrine (TET)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman, ...
Authors:Wei, Y, Yu, Z, Zhao, Y.
Deposit date:2022-12-02
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
8HIH
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BU of 8hih by Molmil
Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Shi, J, Xu, J.C.
Deposit date:2022-11-20
Release date:2023-06-07
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
5F9Q
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BU of 5f9q by Molmil
Crystal structure of the extracellular domain of noncanonic ABC-type transporter YknZ from Gram-positive bacteria
Descriptor: Macrolide export ATP-binding/permease protein YknZ
Authors:Xu, Y, Guo, J, Jiang, R, Jin, X, Fan, S, Quan, C.S, Ha, N.C.
Deposit date:2015-12-10
Release date:2016-02-03
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:The Crystal Structure of the YknZ Extracellular Domain of ABC Transporter YknWXYZ from Bacillus amyloliquefaciens.
Plos One, 11, 2016
7E3J
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BU of 7e3j by Molmil
Crystal structure of SARS-CoV-2 RBD binding to dog ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE2, Spike protein S1, ...
Authors:Zhang, Z, Zhang, Y.
Deposit date:2021-02-08
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The molecular basis for SARS-CoV-2 binding to dog ACE2.
Nat Commun, 12, 2021
5WO1
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BU of 5wo1 by Molmil
Chaperone Spy H96L bound to Im7 L18A L19A L37A (Im7 un-modeled)
Descriptor: CHLORIDE ION, GLUTAMIC ACID, IMIDAZOLE, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
3CJW
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BU of 3cjw by Molmil
Crystal structure of the human COUP-TFII ligand binding domain
Descriptor: COUP transcription factor 2
Authors:Kruse, S.W, Reynolds, R, Vonrhein, C, Xu, H.E.
Deposit date:2008-03-14
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Identification of COUP-TFII Orphan Nuclear Receptor as a Retinoic Acid-Activated Receptor.
Plos Biol., 6, 2008
6IPY
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BU of 6ipy by Molmil
His-tagged Fyn SH3 domain R96I mutant
Descriptor: Tyrosine-protein kinase Fyn
Authors:Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
Deposit date:2018-11-05
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.343 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
7LQ7
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BU of 7lq7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2021-02-13
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Bispecific antibodies targeting distinct regions of the spike protein potently neutralize SARS-CoV-2 variants of concern.
Sci Transl Med, 13, 2021
7M3I
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BU of 7m3i by Molmil
Structure of SARS-CoV-2 spike protein receptor binding domain in complex with a neutralizing antibody, CV2-75 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV2-75 Fab Heavy chain, CV2-75 Fab Light chain, ...
Authors:Hurlburt, N.K, Pancera, M.
Deposit date:2021-03-18
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Isolation and characterization of cross-neutralizing coronavirus antibodies from COVID-19+ subjects.
Cell Rep, 36, 2021
5WO3
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BU of 5wo3 by Molmil
Chaperone Spy bound to Im7 (Im7 un-modeled)
Descriptor: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5ZOF
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BU of 5zof by Molmil
Crystal Structure of D181A/R192F hFen1 in complex with DNA
Descriptor: DNA (5'-D(*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*G)-3'), DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ...
Authors:Han, W, Hua, Y, Zhao, Y.
Deposit date:2018-04-13
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
3E6U
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BU of 3e6u by Molmil
Crystal structure of Human LanCL1
Descriptor: LanC-like protein 1, ZINC ION
Authors:Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C.
Deposit date:2008-08-16
Release date:2009-06-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009

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