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7B92
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BU of 7b92 by Molmil
Structure of a minimal SF3B core in complex with sudemycin D6 (form II)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-12-14
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
7B9C
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BU of 7b9c by Molmil
Structure of a minimal SF3B core in complex with spliceostatin A (form I)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-12-14
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
7B91
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BU of 7b91 by Molmil
Structure of a minimal SF3B core in complex with pladienolide D (form I)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-12-13
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
6QUS
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BU of 6qus by Molmil
HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule
Descriptor: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
Deposit date:2019-02-28
Release date:2019-11-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
7B0I
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BU of 7b0i by Molmil
Structure of a minimal SF3B core in complex with spliceostatin A (form II)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3,Splicing factor 3B subunit 3,Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-11-19
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
5ZYA
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BU of 5zya by Molmil
SF3b spliceosomal complex bound to E7107
Descriptor: PHD finger-like domain-containing protein 5A, POTASSIUM ION, Splicing factor 3B subunit 1, ...
Authors:Finci, L.I, Larsen, N.A.
Deposit date:2018-05-23
Release date:2018-06-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:The cryo-EM structure of the SF3b spliceosome complex bound to a splicing modulator reveals a pre-mRNA substrate competitive mechanism of action
Genes Dev., 32, 2018
7KIA
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BU of 7kia by Molmil
Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19
Descriptor: 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ...
Authors:Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A.
Deposit date:2020-10-23
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
7KIE
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BU of 7kie by Molmil
Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3
Descriptor: CITRATE ANION, Fibroblast growth factor receptor 2, GLYCEROL, ...
Authors:Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A.
Deposit date:2020-10-23
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
6W2J
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BU of 6w2j by Molmil
CPS1 bound to allosteric inhibitor H3B-374
Descriptor: (2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone, 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], ...
Authors:Larsen, N.A, Nguyen, T.V.
Deposit date:2020-03-05
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1.
Acs Med.Chem.Lett., 11, 2020
7OPI
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BU of 7opi by Molmil
Structure of a minimal SF3B core in complex with the inactive modulator spliceostatin E (form I)
Descriptor: PHD finger-like domain-containing protein 5A, Spliceostatin E (form I), Splicing factor 3B subunit 1, ...
Authors:Cretu, C, Pena, V.
Deposit date:2021-05-31
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
7ONB
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BU of 7onb by Molmil
Structure of the U2 5' module of the A3'-SSA complex
Descriptor: MINX, PHD finger-like domain-containing protein 5A, RNU2, ...
Authors:Cretu, C, Pena, V.
Deposit date:2021-05-25
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
7OMF
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BU of 7omf by Molmil
Structure of a minimal SF3B core in complex with sudemycin D6 (form I)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2021-05-21
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
4CCU
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BU of 4ccu by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol
Descriptor: 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2013-10-28
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4CCB
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BU of 4ccb by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with 3-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)-5-(5-methyl-1H- pyrazol-4-yl)pyridin-2-amine
Descriptor: 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2013-10-21
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4CD0
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BU of 4cd0 by Molmil
Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol
Descriptor: (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2013-10-29
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
8SOR
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BU of 8sor by Molmil
Structure of human PI3KC3-C1 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Beclin 1-associated autophagy-related key regulator, Beclin-1, ...
Authors:Chen, M, Hurley, J.H.
Deposit date:2023-04-29
Release date:2023-06-21
Last modified:2023-06-28
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
bioRxiv, 2023
8SOI
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BU of 8soi by Molmil
Structure of human ULK1 complex core (2:1:1 stoichiometry)
Descriptor: Autophagy-related protein 13, RB1-inducible coiled-coil protein 1, Serine/threonine-protein kinase ULK1
Authors:Chen, M, Hurley, J.H.
Deposit date:2023-04-28
Release date:2023-06-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
bioRxiv, 2023
4M0Y
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BU of 4m0y by Molmil
Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M13
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BU of 4m13 by Molmil
Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Z
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BU of 4m0z by Molmil
Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}
Descriptor: 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M12
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BU of 4m12 by Molmil
Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
8W1D
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BU of 8w1d by Molmil
CRYSTAL STRUCTURE OF DPS-LIKE PROTEIN PA4880 FROM PSEUDOMONAS AERUGINOSA (DIMERIC FORM)
Descriptor: DPS-LIKE PROTEIN, FE (II) ION
Authors:Lovell, S, Battaile, K.P, Rivera, M.
Deposit date:2024-02-15
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity.
Front Mol Biosci, 11, 2024
8W1F
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BU of 8w1f by Molmil
Crystal Structure of DPS-like protein PA4880 from Pseudomonas aeruginosa (dodecamer, Mg bound)
Descriptor: DPS-LIKE PROTEIN, FE (II) ION, MAGNESIUM ION, ...
Authors:Lovell, S, Liu, L, Seibold, S, Battaile, K.P, Rivera, M.
Deposit date:2024-02-15
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity.
Front Mol Biosci, 11, 2024
8W1E
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BU of 8w1e by Molmil
Crystal Structure of DPS-like protein PA4880 from Pseudomonas aeruginosa (dodecamer)
Descriptor: DPS-LIKE PROTEIN, FE (II) ION, SULFATE ION
Authors:Lovell, S, Liu, L, Seibold, S, Battaile, K.P, Rivera, M.
Deposit date:2024-02-15
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity.
Front Mol Biosci, 11, 2024
4M14
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BU of 4m14 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014

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數據於2024-07-10公開中

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