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5PZL
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BU of 5pzl by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-({3-[1-(2-CYCLOPROPYLETHYL)-6-FLUORO-4-HYDROXY-2-OXO-1,2-DIHYDROQUINOLIN-3-YL]-1,1-DIOXO-1,4-DIHYDRO-1LAMBDA~6~,2,4-BENZOTHIADIAZIN-7-YL}OXY)ACETAMIDE
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
5PZK
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BU of 5pzk by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-6-[(METHYLSULFONYL)AMINO]-5-(PROPAN-2-YLOXY)-1-BENZOFURAN-3-CARBOXAMIDE
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
5PZP
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BU of 5pzp by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 4-FLUORO-2-(4-FLUOROPHENYL)-N-METHYL-5-(2-METHYL-5-{[1-(PYRIMIDIN-2-YL)CYCLOPROPYL]CARBAMOYL}PHENYL)-1-BENZOFURAN-3-CARBOXAMIDE (BMS-929075)
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
5PTD
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BU of 5ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT H32A
Descriptor: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
Authors:Heinz, D.W.
Deposit date:1997-07-18
Release date:1998-01-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
6LBN
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BU of 6lbn by Molmil
Structure of SIL1-bound FEM1C
Descriptor: Protein fem-1 homolog C,Peptide from Nucleotide exchange factor SIL1
Authors:Chen, X, Liao, S, Xu, C.
Deposit date:2019-11-14
Release date:2020-10-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
6LEN
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BU of 6len by Molmil
Structure of NS11 bound FEM1C
Descriptor: Protein fem-1 homolog C,NS11 peptide
Authors:Chen, x, Liao, S, Xu, C.
Deposit date:2019-11-25
Release date:2020-10-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.383 Å)
Cite:Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
6LEY
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BU of 6ley by Molmil
Structure of Sil1G bound FEM1C
Descriptor: Protein fem-1 homolog C,Peptide from Nucleotide exchange factor SIL1
Authors:Chen, X, Liao, S, Xu, C.
Deposit date:2019-11-27
Release date:2020-10-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
6LF0
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BU of 6lf0 by Molmil
Structure of FEM1C
Descriptor: Protein fem-1 homolog C, SULFATE ION
Authors:Chen, X, Liao, S, Xu, C.
Deposit date:2019-11-27
Release date:2020-10-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
9N9S
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BU of 9n9s by Molmil
Model of APC/C-CDC20-UBE2C from H3/H4-bound complex
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Skrajna, A, Bodrug, T, Brown, N.G, McGinty, R.K.
Deposit date:2025-02-11
Release date:2025-04-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:APC/C-mediated ubiquitylation of extranucleosomal histone complexes lacking canonical degrons.
Nat Commun, 16, 2025
9N9R
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BU of 9n9r by Molmil
Model of APC/C-CDC20-UBE2C from H2A/H2B-bound complex
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Skrajna, A, Bodrug, T, Brown, N.G, McGinty, R.K.
Deposit date:2025-02-11
Release date:2025-04-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:APC/C-mediated ubiquitylation of extranucleosomal histone complexes lacking canonical degrons.
Nat Commun, 16, 2025
6LDP
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BU of 6ldp by Molmil
Structure of CDK5R1-bound FEM1C
Descriptor: Protein fem-1 homolog C,Peptide from Cyclin-dependent kinase 5 activator 1, SULFATE ION
Authors:Chen, X, Liao, S, Xu, C.
Deposit date:2019-11-22
Release date:2020-10-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
7PTD
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BU of 7ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT R163K
Descriptor: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
Authors:Heinz, D.W.
Deposit date:1997-07-18
Release date:1998-01-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
7NZY
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BU of 7nzy by Molmil
Crystal structure of human Casein Kinase I delta in complex with CGS-15943
Descriptor: 9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine, Casein kinase I isoform delta, MALONATE ION, ...
Authors:Pichlo, C, Baumann, U.
Deposit date:2021-03-24
Release date:2022-10-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Phenotypic Discovery of Triazolo[1,5- c ]quinazolines as a First-In-Class Bone Morphogenetic Protein Amplifier Chemotype.
J.Med.Chem., 65, 2022
6ZJG
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BU of 6zjg by Molmil
Crystal structure of ACPA E4 in complex with CII-C-48-CIT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACPA E4 Fab fragment - heavy chain, ACPA E4 Fab fragment - light chain, ...
Authors:Ge, C, Holmdahl, R.
Deposit date:2020-06-29
Release date:2021-07-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of ACPA E4 in complex with CII-C-48-CIT
To Be Published
8VJ1
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BU of 8vj1 by Molmil
Structure of C-terminal domain of telomere resolvase, ResT, from Borrelia garinii
Descriptor: Telomere resolvase ResT
Authors:Semper, C, Savchenko, A, Watanabe, N, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-01-05
Release date:2024-07-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure analysis of the telomere resolvase from the Lyme disease spirochete Borrelia garinii reveals functional divergence of its C-terminal domain.
Nucleic Acids Res., 52, 2024
7ANQ
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BU of 7anq by Molmil
Complete PCSK9 C-ter domain in complex with VHH P1.40
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Proprotein convertase subtilisin/kexin type 9, SULFATE ION, ...
Authors:Ciccone, L, Legrand, P, Stura, E.A, Dive, V, Seidahn, N.G, Fruchart Gaillard, C.
Deposit date:2020-10-12
Release date:2021-10-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular interactions of PCSK9 with an inhibitory nanobody, CAP1 and HLA-C: Functional regulation of LDLR levels.
Mol Metab, 67, 2022
8CK8
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BU of 8ck8 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-Cyclohexyloxy-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
Descriptor: (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Musil, D.
Deposit date:2023-02-14
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8CK3
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BU of 8ck3 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
Descriptor: (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ...
Authors:Musil, D, Lehmannn, M, Diehl, L.
Deposit date:2023-02-14
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8F8N
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BU of 8f8n by Molmil
Crystal structure of the Arabidopsis SPIRAL2 C-terminal domain
Descriptor: Microtubule-associated protein TORTIFOLIA1
Authors:Slep, K.C, Bolhuis, D.B, Dixit, R.
Deposit date:2022-11-22
Release date:2023-08-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Crystal structure of the Arabidopsis SPIRAL2 C-terminal domain reveals a p80-Katanin-like domain.
Plos One, 18, 2023
8DK6
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BU of 8dk6 by Molmil
Structure of hepatitis C virus envelope N-terminal truncated glycoprotein 2 (E2) (residues 456-713) from J6 genotype
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, 2A12 Fab light chain, ...
Authors:Kumar, A, Rohe, T, Elrod, E.J, Khan, A.G, Dearborn, A.D, Kissinger, R, Grakoui, A, Marcotrigiano, J.
Deposit date:2022-07-03
Release date:2023-03-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Regions of hepatitis C virus E2 required for membrane association.
Nat Commun, 14, 2023
6FM6
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BU of 6fm6 by Molmil
Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes
Descriptor: Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL
Authors:Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S.
Deposit date:2018-01-30
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
6FM7
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BU of 6fm7 by Molmil
Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes in complex with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Pozzi, C, De Luca, F, Benvenuti, M, Di Pisa, F, Docquier, J.D, Mangani, S.
Deposit date:2018-01-30
Release date:2018-05-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
6LUS
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BU of 6lus by Molmil
Crystal structure of the Mengla Virus VP30 C-terminal domain
Descriptor: Minor nucleoprotein VP30
Authors:Dong, S.S, Wen, K.N, Chu, H.G, Wang, C.H, Qin, X.C.
Deposit date:2020-01-30
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the Mengla virus VP30 C-terminal domain.
Biochem.Biophys.Res.Commun., 525, 2020
6GD7
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BU of 6gd7 by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG
Descriptor: Cytochrome c iso-1, GLYCEROL, HEME C, ...
Authors:Rennie, M.L, Fox, G.C, Crowley, P.B.
Deposit date:2018-04-23
Release date:2018-08-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
8EDE
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BU of 8ede by Molmil
Crystal structure of covalent inhibitor 2-chloro-N'-(N-(4-chlorophenyl)-N-methylglycyl)acetohydrazide bound to Ubiquitin C-terminal Hydrolase-L1
Descriptor: 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1
Authors:Patel, R, Imhoff, R, Flaherty, D, Das, C.
Deposit date:2022-09-04
Release date:2023-09-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Covalent Fragment Screening and Optimization Identifies the Chloroacetohydrazide Scaffold as Inhibitors for Ubiquitin C-terminal Hydrolase L1.
J.Med.Chem., 67, 2024

238582

数据于2025-07-09公开中

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