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6ILE
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BU of 6ile by Molmil
CRYSTAL STRUCTURE OF A MUTANT PTAL-N*01:01 FOR 2.9 ANGSTROM, 52M 53D 54L DELETED
Descriptor: Beta-2-microglobulin, HEV-1, MHC class I antigen
Authors:Qu, Z.H, Zhang, N.Z, Xia, C.
Deposit date:2018-10-17
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and Peptidome of the Bat MHC Class I Molecule Reveal a Novel Mechanism Leading to High-Affinity Peptide Binding.
J Immunol., 202, 2019
4Q9V
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BU of 4q9v by Molmil
Crystal structure of TIPE3
Descriptor: CHLORIDE ION, SULFATE ION, Tumor necrosis factor alpha-induced protein 8-like protein 3
Authors:Wu, J, Zhang, X, Chen, Y.H, Shi, Y.
Deposit date:2014-05-02
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:TIPE3 Is the Transfer Protein of Lipid Second Messengers that Promote Cancer.
Cancer Cell, 26, 2014
1XQD
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BU of 1xqd by Molmil
Crystal structure of P450NOR complexed with 3-pyridinealdehyde adenine dinucleotide
Descriptor: CYTOCHROME P450 55A1, NICOTINIC ACID ADENINE DINUCLEOTIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Oshima, R, Fushinobu, S, Takaya, N, Su, F, Wakagi, T, Shoun, H.
Deposit date:2004-10-12
Release date:2004-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural evidence for direct hydride transfer from NADH to cytochrome P450nor
J.Mol.Biol., 342, 2004
4II4
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BU of 4ii4 by Molmil
The Phenylacetyl-CoA monooxygenase - mutant PaaA E49Q K68Q - PaaC wild type subcomplex with benzoyl-CoA
Descriptor: 1,2-phenylacetyl-CoA epoxidase, subunit A, subunit C, ...
Authors:Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2012-12-19
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Spatial Organization of Subunits within the Phenylacetyl-CoA Monooxygenase Complex
To be published
4IIT
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BU of 4iit by Molmil
The Phenylacetyl-CoA monooxygenase PaaABC subcomplex with phenylacetyl-CoA
Descriptor: Phenylacetate-CoA oxygenase subunit PaaA, Phenylacetate-CoA oxygenase subunit PaaB, Phenylacetate-CoA oxygenase subunit PaaC, ...
Authors:Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2012-12-20
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Family of phenylacetyl-CoA monooxygenases differs in subunit organization from other monooxygenases.
J.Struct.Biol., 184, 2013
4RL1
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BU of 4rl1 by Molmil
Structural and functional analysis of a loading acyltransferase from the avermectin modular polyketide synthase
Descriptor: Type I polyketide synthase AVES 1
Authors:Wang, F, Wang, Y, Zheng, J.
Deposit date:2014-10-15
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the loading acyltransferase from avermectin modular polyketide synthase.
Acs Chem.Biol., 10, 2015
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
4FLN
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BU of 4fln by Molmil
Crystal structure of plant protease Deg2
Descriptor: Protease Do-like 2, chloroplastic, Unknown peptide
Authors:Gong, W, Liu, L, Sun, R, Gao, F.
Deposit date:2012-06-15
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Arabidopsis deg2 protein reveals an internal PDZ ligand locking the hexameric resting state.
J.Biol.Chem., 287, 2012
4TVZ
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BU of 4tvz 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 (3.006 Å)
Cite:Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71
Protein Cell, 5, 2014
4GPI
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BU of 4gpi by Molmil
Crystal structure of human B type phosphoglycerate mutase
Descriptor: CHLORIDE ION, Phosphoglycerate mutase 1
Authors:Zhou, L, He, C.
Deposit date:2012-08-21
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0817 Å)
Cite:Tyr26 phosphorylation of PGAM1 provides a metabolic advantage to tumours by stabilizing the active conformation.
Nat Commun, 4, 2013
4TW0
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BU of 4tw0 by Molmil
Crystal Structure of SCARB2 in Acidic Condition (pH4.8)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
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 (3.648 Å)
Cite:Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71
Protein Cell, 5, 2014
8CYF
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BU of 8cyf by Molmil
WhiB3 bound to SigmaAr4-RNAP Beta flap tip chimera and DNA
Descriptor: CACODYLATE ION, DNA (5'-D(*CP*AP*CP*CP*AP*CP*AP*AP*CP*CP*GP*AP*TP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*AP*AP*TP*CP*GP*GP*TP*TP*GP*TP*GP*GP*T)-3'), ...
Authors:Wan, T, Zhang, L.M.
Deposit date:2022-05-23
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural basis of DNA binding by the WhiB-like transcription factor WhiB3 in Mycobacterium tuberculosis.
J.Biol.Chem., 299, 2023
6O6L
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BU of 6o6l by Molmil
The Structure of EgtB(Cabther) in complex with Hercynine
Descriptor: EgtB (Cabther), FE (III) ION, N,N,N-trimethyl-histidine
Authors:Irani, S, Zhang, Y.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
6O6M
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BU of 6o6m by Molmil
The Structure of EgtB (Cabther)
Descriptor: EgtB (Cabther), FE (III) ION, GLYCEROL
Authors:Irani, S, Zhang, Y.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
7VH8
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BU of 7vh8 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Zhao, Y, Zhang, Q, Yang, H, Rao, Z.
Deposit date:2021-09-21
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332.
Protein Cell, 13, 2022
6VA3
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BU of 6va3 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MQC
Descriptor: 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6VA1
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BU of 6va1 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element
Descriptor: RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6VA2
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BU of 6va2 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MH5
Descriptor: (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide), RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6VA4
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BU of 6va4 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MIP
Descriptor: N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
1ULW
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BU of 1ulw by Molmil
Crystal structure of P450nor Ser73Gly/Ser75Gly mutant
Descriptor: Cytochrome P450 55A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Oshima, R, Fushinobu, S, Su, F, Li, Z, Takaya, N, Shoun, H.
Deposit date:2003-09-16
Release date:2004-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural evidence for direct hydride transfer from NADH to cytochrome P450nor
J.Mol.Biol., 342, 2004
5QIN
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BU of 5qin by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN IN COMPLEX WITH N- {4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2- YL]PYRIDIN-2-YL}ACETAMIDE
Descriptor: GLYCEROL, MAGNESIUM ION, N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, ...
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
5QIM
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BU of 5qim by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(5-METHOXYPYRIDIN-2-YL)-1H-PYRROLO[3,2-B] PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
Descriptor: GLYCEROL, N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
5QIL
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BU of 5qil by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
Descriptor: N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
5QIK
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BU of 5qik by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
Descriptor: GLYCEROL, N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018

223532

数据于2024-08-07公开中

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