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5EEH
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BU of 5eeh by Molmil
Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 2-chloro-4-nitrophenol
Descriptor: 2-chloranyl-4-nitro-phenol, Carminomycin 4-O-methyltransferase DnrK, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Wang, F, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-10-22
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways.
Acs Chem.Biol., 11, 2016
6UHY
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BU of 6uhy by Molmil
WDR5 in complex with Myc site fragment inhibitor
Descriptor: 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5
Authors:Wang, F, Fesik, S.W.
Deposit date:2019-09-29
Release date:2020-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UHZ
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BU of 6uhz by Molmil
WDR5 in complex with Myc site fragment inhibitor
Descriptor: 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5
Authors:Wang, F, Fesik, S.w.
Deposit date:2019-09-29
Release date:2020-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.258 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
7L0E
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BU of 7l0e by Molmil
Crystal structure of bovine RPE65 in complex with gem-difluoro emixustat and palmitate
Descriptor: (1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol, FE (II) ION, PALMITIC ACID, ...
Authors:Kiser, P.D.
Deposit date:2020-12-11
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
J.Med.Chem., 64, 2021
3ZXH
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BU of 3zxh by Molmil
MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor
Descriptor: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
Authors:Clark, K.L, Kulathila, R.
Deposit date:2011-08-10
Release date:2011-10-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Potent and Selective 2-Naphthylsulfonamide Substituted Hydroxamic Acid Inhibitors of Matrix Metalloproteinase-13.
Bioorg.Med.Chem.Lett., 21, 2011
2PWX
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BU of 2pwx by Molmil
Crystal structure of G11A mutant of SARS-CoV 3C-like protease
Descriptor: 3C-like proteinase
Authors:Chen, S, Hu, T, Jiang, H, Shen, X.
Deposit date:2007-05-14
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutation of Gly-11 on the dimer interface results in the complete crystallographic dimer dissociation of severe acute respiratory syndrome coronavirus 3C-like protease: crystal structure with molecular dynamics simulations.
J.Biol.Chem., 283, 2008
1H6O
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BU of 1h6o by Molmil
Dimerisation domain from human TRF1
Descriptor: TELOMERIC REPEAT BINDING FACTOR 1
Authors:Fairall, L, Chapman, L, Rhodes, D.
Deposit date:2001-06-20
Release date:2001-09-05
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the TRFH dimerization domain of the human telomeric proteins TRF1 and TRF2.
Mol.Cell, 8, 2001
3C0C
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BU of 3c0c by Molmil
X-ray Crystal Structure of the Rat Endophilin A2 SH3 Domain
Descriptor: Endophilin-A2
Authors:Loll, P.J, Swain, E.
Deposit date:2008-01-19
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the SH3 domain of rat endophilin A2
To be Published
6W9I
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BU of 6w9i by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
Descriptor: 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
Authors:Sack, J.S.
Deposit date:2020-03-23
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.608 Å)
Cite:Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
6W9H
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BU of 6w9h by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
Descriptor: 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
Authors:Sack, J.S.
Deposit date:2020-03-23
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
8W6A
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BU of 8w6a by Molmil
Crystal structure of TAX1BP1 LIR region in complex with GABARAP
Descriptor: Gamma-aminobutyric acid receptor-associated protein, Tax1-binding protein 1
Authors:Zhang, M.F, Pan, L.F.
Deposit date:2023-08-28
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mechanistic insights into the interactions of TAX1BP1 with RB1CC1 and mammalian ATG8 family proteins.
Proc.Natl.Acad.Sci.USA, 121, 2024
8W6B
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BU of 8w6b by Molmil
crystal structure of TAX1BP1 SKICH domain in complex with RB1CC1 coiled-coil domain
Descriptor: RB1-inducible coiled-coil protein 1, Tax1-binding protein 1
Authors:Zhang, M.F, Pan, L.F.
Deposit date:2023-08-28
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Mechanistic insights into the interactions of TAX1BP1 with RB1CC1 and mammalian ATG8 family proteins.
Proc.Natl.Acad.Sci.USA, 121, 2024
3SQY
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BU of 3sqy by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
Descriptor: 7-(2-methoxyphenyl)quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-06
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
7LDG
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BU of 7ldg by Molmil
Crystal structure of the MEILB2-BRCA2 complex
Descriptor: Breast cancer type 2 susceptibility protein, Heat shock factor 2-binding protein
Authors:Nandakumar, J, Pendlebury, D.F.
Deposit date:2021-01-13
Release date:2021-08-11
Last modified:2021-08-25
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure of a meiosis-specific complex central to BRCA2 localization at recombination sites.
Nat.Struct.Mol.Biol., 28, 2021
4PLJ
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BU of 4plj by Molmil
Hepatitis E Virus E2s domain (Genotype IV) in complex with a neutralizing antibody 8G12
Descriptor: 8G12 heavy chain, 8G12 light chain, Capsid protein
Authors:Tang, X.H, Li, S.W, Sivaraman, J.
Deposit date:2014-05-18
Release date:2015-04-15
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Cell Res., 25, 2015
3SR5
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BU of 3sr5 by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
Descriptor: 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-06
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRW
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BU of 3srw by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
Descriptor: 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
7LIR
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BU of 7lir by Molmil
Structure of the invertebrate ALK GRD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALK tyrosine kinase receptor homolog scd-2, ...
Authors:Stayrook, S, Li, T, Klein, D.E.
Deposit date:2021-01-27
Release date:2021-11-24
Last modified:2021-12-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
7LS0
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BU of 7ls0 by Molmil
Structure of the Human ALK GRD bound to AUG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALK tyrosine kinase receptor fused with ALK and LTK ligand 2, CITRIC ACID
Authors:Stayrook, S, Li, T, Klein, D.E.
Deposit date:2021-02-17
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
7LRZ
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BU of 7lrz by Molmil
Structure of the Human ALK GRD
Descriptor: ALK tyrosine kinase receptor
Authors:Stayrook, S, Li, T, Klein, D.E.
Deposit date:2021-02-17
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
8WQI
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BU of 8wqi by Molmil
Local refinement of FEM1B bound with the C-degron of CUX1
Descriptor: Protein CASP, Protein fem-1 homolog B
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WQH
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BU of 8wqh by Molmil
cryo-EM structure of neddylated CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CCDC89 (conformation 2)
Descriptor: Coiled-coil domain-containing protein 89, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WQB
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BU of 8wqb by Molmil
Cryo-EM structure of CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CCDC89 (conformation 2)
Descriptor: Coiled-coil domain-containing protein 89, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WQG
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BU of 8wqg by Molmil
cryo-EM structure of neddylated CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CCDC89 (conformation 1)
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.09 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WQF
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BU of 8wqf by Molmil
cryo-EM structure of CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CUX1 (conformation 2)
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024

223790

数据于2024-08-14公开中

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