6W2J
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![BU of 6w2j by Molmil](/molmil-images/mine/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
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![BU of 1rx0 by Molmil](/molmil-images/mine/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
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![BU of 6uel by Molmil](/molmil-images/mine/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
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![BU of 8hhg by Molmil](/molmil-images/mine/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
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![BU of 8hhh by Molmil](/molmil-images/mine/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
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![BU of 8hhf by Molmil](/molmil-images/mine/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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7OPI
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![BU of 7opi by Molmil](/molmil-images/mine/7opi) | |
7ONB
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![BU of 7onb by Molmil](/molmil-images/mine/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
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![BU of 7omf by Molmil](/molmil-images/mine/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
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![BU of 7b0i by Molmil](/molmil-images/mine/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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7B92
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![BU of 7b92 by Molmil](/molmil-images/mine/7b92) | |
7B9C
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![BU of 7b9c by Molmil](/molmil-images/mine/7b9c) | |
7B91
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![BU of 7b91 by Molmil](/molmil-images/mine/7b91) | |
6CHW
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![BU of 6chw by Molmil](/molmil-images/mine/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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6CHZ
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![BU of 6chz by Molmil](/molmil-images/mine/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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7KIA
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![BU of 7kia by Molmil](/molmil-images/mine/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
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![BU of 7kie by Molmil](/molmil-images/mine/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
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![BU of 7yck by Molmil](/molmil-images/mine/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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8YRP
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![BU of 8yrp by Molmil](/molmil-images/mine/8yrp) | SARS-CoV-2 Delta Spike in complex with JM-1A | Descriptor: | JM-1A Heavy Chain, JM-1A Light Chain, Spike glycoprotein | Authors: | Nguyen, V.H.T, Chen, X. | Deposit date: | 2024-03-21 | Release date: | 2024-06-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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8YRO
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![BU of 8yro by Molmil](/molmil-images/mine/8yro) | SARS-CoV-2 Delta Spike in complex with JL-8C | Descriptor: | JL-8C Heavy Chain, JL-8C Light Chain, Spike glycoprotein | Authors: | Nguyen, V.H.T, Chen, X. | Deposit date: | 2024-03-21 | Release date: | 2024-06-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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7YCL
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![BU of 7ycl by Molmil](/molmil-images/mine/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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![BU of 7ycn by Molmil](/molmil-images/mine/7ycn) | |
8YZ5
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![BU of 8yz5 by Molmil](/molmil-images/mine/8yz5) | SARS-CoV-2 Delta Spike in complex with Fab of JE-5C | Descriptor: | Fab heavy chain of JE-5C, Fab light chain of JE-5C, Spike glycoprotein | Authors: | Chen, X, Wu, Y.-M. | Deposit date: | 2024-04-06 | Release date: | 2024-06-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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8YZ6
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![BU of 8yz6 by Molmil](/molmil-images/mine/8yz6) | SARS-CoV-2 Spike (BA.1) in complex with Fab of JH-8B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain of JH-8B, ... | Authors: | Chen, X, Wu, Y.-M. | Deposit date: | 2024-04-06 | Release date: | 2024-06-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4.55 Å) | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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8X0X
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![BU of 8x0x by Molmil](/molmil-images/mine/8x0x) | Crystal structure of JE-5C in complex with SARS-CoV-2 RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of JE-5C Fab, Light chain of JE-5C Fab, ... | Authors: | Mohapatra, A, Chen, X. | Deposit date: | 2023-11-06 | Release date: | 2024-06-05 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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