6W2J
 
 | | 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
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1RX0
 | | Crystal structure of isobutyryl-CoA dehydrogenase complexed with substrate/ligand. | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Acyl-CoA dehydrogenase family member 8, ... | | Authors: | Battaile, K.P, Nguyen, T.V, Vockley, J, Kim, J.J. | | Deposit date: | 2003-12-18 | | Release date: | 2004-04-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structures of Isobutyryl-CoA Dehydrogenase and Enzyme-Product Complex: COMPARISON WITH ISOVALERYL- AND SHORT-CHAIN ACYL-COA DEHYDROGENASES.
J.Biol.Chem., 279, 2004
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6UEL
 | | CPS1 bound to allosteric inhibitor H3B-193 | | Descriptor: | Carbamoyl-phosphate synthase [ammonia], mitochondrial, N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide, ... | | Authors: | Larsen, N.A, Nguyen, T.V. | | Deposit date: | 2019-09-21 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket.
Cell Chem Biol, 27, 2020
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8HHG
 | | The bacterial divisome protein complex FtsB-FtsL-FtsQ | | Descriptor: | Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ | | Authors: | Nguyen, V.H.T, Chen, X. | | Deposit date: | 2022-11-16 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the heterotrimeric membrane protein complex FtsB-FtsL-FtsQ of the bacterial divisome.
Nat Commun, 14, 2023
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8HHH
 | | The bacterial divisome protein complex FtsB-FtsL-FtsQ | | Descriptor: | Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ | | Authors: | Nguyen, V.H.T, Chen, X. | | Deposit date: | 2022-11-16 | | Release date: | 2023-04-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the heterotrimeric membrane protein complex FtsB-FtsL-FtsQ of the bacterial divisome.
Nat Commun, 14, 2023
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8HHF
 | | The bacterial divisome protein complex FtsB-FtsL-FtsQ | | Descriptor: | Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ | | Authors: | Nguyen, V.H.T, Chen, X. | | Deposit date: | 2022-11-16 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structure of the heterotrimeric membrane protein complex FtsB-FtsL-FtsQ of the bacterial divisome.
Nat Commun, 14, 2023
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7B9C
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7B92
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7B91
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7OPI
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7ONB
 | | 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
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7OMF
 | | 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
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7B0I
 | | 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
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6CHZ
 | | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | | Authors: | Larsen, N.A. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
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6CHW
 | | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | | Authors: | Larsen, N.A. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-21 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
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7KIA
 | | 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
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7KIE
 | | 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
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7YCK
 | | Crystal structure of SARS-CoV-2 Spike RBD in complex with FP-12A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, FP-12A Fab light chain, ... | | Authors: | Nguyen, V.H.T, Chen, X. | | Deposit date: | 2022-07-01 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
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8HHX
 | | SARS-CoV-2 Delta Spike in complex with FP-12A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, ... | | Authors: | Chen, X, Wu, Y.-M. | | Deposit date: | 2022-11-17 | | Release date: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
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8HHZ
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8HHY
 | | SARS-CoV-2 Delta Spike in complex with IS-9A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, ... | | Authors: | Mohapatra, A, Wu, Y.-M. | | Deposit date: | 2022-11-17 | | Release date: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
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7YCL
 | | Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, IS-9A Fab light chain, ... | | Authors: | Mohapatra, A, Chen, X. | | Deposit date: | 2022-07-01 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
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7YCN
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