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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:2024-10-23
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:2024-10-16
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
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
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
8SQZ
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BU of 8sqz by Molmil
Structure of human ULK1 complex core (2:2:2 stoichiometry) in the PI3KC3-C1 mixture
Descriptor: Autophagy-related protein 13, RB1-inducible coiled-coil protein 1, Serine/threonine-protein kinase ULK1
Authors:Chen, M, Hurley, J.H.
Deposit date:2023-05-04
Release date:2023-06-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (5.85 Å)
Cite:Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
bioRxiv, 2023
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:2024-10-09
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
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
bioRxiv, 2023
8SRM
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BU of 8srm by Molmil
Structure of human ULK1 complex core (2:2:2 stoichiometry) of the ATG13(450-517) mutant
Descriptor: Autophagy-related protein 13, RB1-inducible coiled-coil protein 1, Serine/threonine-protein kinase ULK1
Authors:Chen, M, Hurley, J.H.
Deposit date:2023-05-05
Release date:2023-06-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.46 Å)
Cite:Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
bioRxiv
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
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
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:2024-10-09
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
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
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
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
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
4M15
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BU of 4m15 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] and ADP
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, 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 (1.52 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
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
8GK7
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BU of 8gk7 by Molmil
MsbA bound to cerastecin C
Descriptor: 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Chen, Y, Klein, D.
Deposit date:2023-03-17
Release date:2024-04-24
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
3SOS
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BU of 3sos by Molmil
Benzothiazinone inhibitor in complex with FXIa
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, Coagulation factor XI, ...
Authors:Fradera, X, Kazemier, B, Oubrie, A.
Deposit date:2011-06-30
Release date:2012-04-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012
3SOR
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BU of 3sor by Molmil
Factor XIa in complex with a clorophenyl-tetrazole inhibitor
Descriptor: CITRIC ACID, Coagulation factor XI, {4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid
Authors:Kazemier, B, Oubrie, A.
Deposit date:2011-06-30
Release date:2012-04-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012

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数据于2024-10-30公开中

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