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8IOO
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BU of 8ioo by Molmil
Crystal structure of Deinococcus radiodurans RecJ-like protein in complex with Mg2+
Descriptor: MAGNESIUM ION, RecJ-like protein, SULFATE ION
Authors:Cheng, K.
Deposit date:2023-03-13
Release date:2024-03-20
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional investigation of the DHH/DHHA1 family proteins in Deinococcus radiodurans.
Nucleic Acids Res., 52, 2024
5YP6
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BU of 5yp6 by Molmil
RORgamma (263-509) complexed with SRC2 and Compound 6
Descriptor: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
Authors:Gao, M, Cai, W.
Deposit date:2017-11-01
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
5YP5
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BU of 5yp5 by Molmil
Crystal structure of RORgamma complexed with SRC2 and compound 5d
Descriptor: 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide
Authors:Gao, M, Cai, W, Chunwa, C.
Deposit date:2017-11-01
Release date:2018-04-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
7W5E
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BU of 7w5e by Molmil
Oxidase ChaP D49L mutant
Descriptor: ChaP, FE (III) ION
Authors:Wang, Y, Zheng, W, Meng, Z, Jin, Y, Zhu, J, Tan, R.
Deposit date:2021-11-30
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022
7BXF
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BU of 7bxf by Molmil
MvcA-Lpg2149 complex
Descriptor: Lpg2149, MvcA, PRASEODYMIUM ION
Authors:Gao, P.
Deposit date:2020-04-19
Release date:2020-05-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
5TRL
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BU of 5trl by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain
Descriptor: Histone acetyltransferase KAT2A, SUCCINYL-COENZYME A
Authors:Guo, Y.R, Tao, Y.J.
Deposit date:2016-10-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:KAT2A coupled with the alpha-KGDH complex acts as a histone H3 succinyltransferase.
Nature, 552, 2017
5TRM
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BU of 5trm by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain
Descriptor: Histone acetyltransferase KAT2A
Authors:Guo, Y.R, Tao, Y.J.
Deposit date:2016-10-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:KAT2A coupled with the alpha-KGDH complex acts as a histone H3 succinyltransferase.
Nature, 552, 2017
6W78
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BU of 6w78 by Molmil
crystal structure of a plant ice-binding protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antifreeze polypeptide
Authors:Wang, Y.N, Zhang, H.Q.
Deposit date:2020-03-18
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:Carrot 'antifreeze' protein has an irregular ice-binding site that confers weak freezing point depression but strong inhibition of ice recrystallization.
Biochem.J., 477, 2020
2M9M
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BU of 2m9m by Molmil
Solution Structure of ERCC4 domain of human FAAP24
Descriptor: Fanconi anemia-associated protein of 24 kDa
Authors:Wu, F, Han, X, Shi, C, Gong, W, Tian, C.
Deposit date:2013-06-18
Release date:2013-09-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure analysis of FAAP24 reveals single-stranded DNA-binding activity and domain functions in DNA damage response.
Cell Res., 23, 2013
7WCY
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BU of 7wcy by Molmil
Crystal Structure of H-2Kb with Cryptosporidium parvum gp40/15 epitope
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
Authors:Wang, Y.L, Gao, M.H, Zhang, L.X, Fan, S.H.
Deposit date:2021-12-20
Release date:2022-12-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Analyses of a Dominant Cryptosporidium parvum Epitope Presented by H-2K b Offer New Options To Combat Cryptosporidiosis.
Mbio, 14, 2023
5XKF
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BU of 5xkf by Molmil
Crystal structure of T2R-TTL-MPC6827 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKG
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BU of 5xkg by Molmil
Crystal structure of T2R-TTL-CH1 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKH
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BU of 5xkh by Molmil
Crystal structure of T2R-TTL-CF1 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKE
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BU of 5xke by Molmil
Crystal structure of T2R-TTL-Demecolcine complex
Descriptor: (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-07-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
8KBZ
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BU of 8kbz by Molmil
Cryo-EM structure of human ATG9A in LMNG micelles
Descriptor: Autophagy-related protein 9A
Authors:Yang, W, Goran, S.
Deposit date:2023-08-04
Release date:2024-08-07
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural basis for lipid transfer by the ATG2A-ATG9A complex.
Nat.Struct.Mol.Biol., 2024
4N74
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BU of 4n74 by Molmil
Crystal Structure of Outer Membrane Protein TamA beta-barrel Domain in E.coli
Descriptor: Predicted outer membrane protein and surface antigen
Authors:Wang, Y.
Deposit date:2013-10-14
Release date:2014-10-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of BamA-mediate Outer Membrane Protein Biogenesis
To be Published
4TW2
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BU of 4tw2 by Molmil
Crystal Structure of SCARB2 in Neural Condition (pH7.5)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Scavenger receptor class B member 2, ...
Authors:Dang, M.H, Wang, X.X, Rao, Z.H.
Deposit date:2014-06-29
Release date:2015-07-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71
Protein Cell, 5, 2014
7B52
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BU of 7b52 by Molmil
VAR2CSA full ectodomain
Descriptor: Erythrocyte membrane protein 1
Authors:Wang, K.T, Gourdon, P.E, Dagil, R, Salanti, A.
Deposit date:2020-12-03
Release date:2021-04-21
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
7B54
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BU of 7b54 by Molmil
VAR2CSA full ectodomain in present of plCS, DBL1-DBL4
Descriptor: VAR2CSA in presence of plCS, DBl1-DBL4,Erythrocyte membrane protein 1
Authors:Wang, K.T, Dagil, R, Gourdon, P.E, Salanti, A.
Deposit date:2020-12-03
Release date:2021-06-02
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
6PZV
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BU of 6pzv by Molmil
Crystal Structure of Bovine DNMT1 RFTS domain in complex with H3K9me3 and Ubiquitin
Descriptor: CITRATE ANION, DNA (cytosine-5)-methyltransferase 1, Histone H3.3, ...
Authors:Ren, W, Song, J.
Deposit date:2019-08-01
Release date:2020-07-15
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Direct readout of heterochromatic H3K9me3 regulates DNMT1-mediated maintenance DNA methylation.
Proc.Natl.Acad.Sci.USA, 117, 2020
4U82
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BU of 4u82 by Molmil
Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate
Descriptor: Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
Authors:Zhu, W, Oldfield, E.
Deposit date:2014-07-31
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
4U8A
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BU of 4u8a by Molmil
Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1503
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
Authors:Zhu, W, Oldfield, E.
Deposit date:2014-08-01
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
4WWI
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BU of 4wwi by Molmil
Crystal structure of the C domain of staphylococcal protein A in complex with the Fc fragment of human IgG at 2.3 Angstrom resolution
Descriptor: Ig gamma-3 chain C region, Immunoglobulin G-binding protein A
Authors:Deis, L.N, Oas, T.G.
Deposit date:2014-11-11
Release date:2015-07-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015

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數據於2024-10-16公開中

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