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5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Farrow, N.A, Padyana, A.K.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
7PT0
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BU of 7pt0 by Molmil
SCO3201 with putative ligand
Descriptor: SPERMIDINE, TetR family transcriptional regulator
Authors:Werten, S, Palm, G.J, Hinrichs, W.
Deposit date:2021-09-25
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structures of free and ligand-bound forms of the TetR/AcrR-like regulator SCO3201 from Streptomyces coelicolor suggest a novel allosteric mechanism.
Febs J., 290, 2023
5DGA
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BU of 5dga by Molmil
CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA EXTENDING AN 1,N6-ETHENODEOXYADENOSINE : dT PAIR BY INSERTING dTMPNPP OPPOSITE TEMPLATE dA
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*AP*(EDA)P*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2015-08-27
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
Descriptor: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
Authors:Plotnikov, A.N, Joshua, j, Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5DG8
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BU of 5dg8 by Molmil
CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING dAMPNPP ACROSS A DNA TEMPLATE CONTAINING 1,N6-ETHENODEOXYADENOSINE LESION
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(EDA)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2015-08-27
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
5DG7
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BU of 5dg7 by Molmil
CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING dTTP ACROSS A DNA TEMPLATE CONTAINING 1,N6-ETHENODEOXYADENOSINE LESION
Descriptor: CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(EDA)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2015-08-27
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
5DGB
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BU of 5dgb by Molmil
CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA EXTENDING AN 1,N6-ETHENODEOXYADENOSINE : dA PAIR BY INSERTING dTMPNPP OPPOSITE TEMPLATE dA
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), DNA (5'-D(*CP*AP*TP*AP*(EDA)P*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2015-08-27
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
5DG9
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BU of 5dg9 by Molmil
CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING dGMPNPP ACROSS A DNA TEMPLATE CONTAINING 1,N6-ETHENODEOXYADENOSINE LESION
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(EDA)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2015-08-27
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
5BPA
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BU of 5bpa by Molmil
X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate
Descriptor: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A, Margarit, S.M.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BOY
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BU of 5boy by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-Carboxylate
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Farrow, N.A.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5E0E
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BU of 5e0e by Molmil
Crystal Structure of Cytochrome P450 2B37 from Desert Woodrat in complex with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 family 2 subfamily B, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shah, M.B, Halpert, J.R, Stout, C.D.
Deposit date:2015-09-28
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.
Mol.Pharmacol., 89, 2016
5E58
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BU of 5e58 by Molmil
Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ...
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2015-10-08
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.
Mol.Pharmacol., 89, 2016
6K9R
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BU of 6k9r by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Li, C, Wan, Q.
Deposit date:2019-06-17
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
4Q9L
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BU of 4q9l by Molmil
P-glycoprotein cocrystallised with QZ-Phe
Descriptor: (30F)F(30F)F(30F)F Peptide, Multidrug resistance protein 1A
Authors:McGrath, A.P, Szewczyk, P, Chang, G.
Deposit date:2014-05-01
Release date:2015-03-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
4QED
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BU of 4qed by Molmil
ElxO Y152F with NADPH Bound
Descriptor: ElxO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Garg, N, Nair, S.K.
Deposit date:2014-05-15
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Specificity of the Lanthipeptide Peptidase ElxP and the Oxidoreductase ElxO.
Acs Chem.Biol., 9, 2014
6K9O
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BU of 6k9o by Molmil
Crystal Structure Analysis of Protein
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION
Authors:Li, C, Wan, Q.
Deposit date:2019-06-17
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6RIC
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BU of 6ric by Molmil
Structure of the core Vaccinia Virus DNA-dependent RNA polymerase complex
Descriptor: DNA-dependent RNA polymerase subunit rpo132, DNA-dependent RNA polymerase subunit rpo147, DNA-dependent RNA polymerase subunit rpo18, ...
Authors:Grimm, C, Hillen, H.S, Bedenk, K, Bartuli, J, Neyer, S, Zhang, Q, Huettenhofer, A, Erlacher, M, Dienemann, C, Schlosser, A, Urlaub, H, Boettcher, B, Szalay, A, Cramer, P, Fischer, U.
Deposit date:2019-04-23
Release date:2019-12-18
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural Basis of Poxvirus Transcription: Transcribing and Capping Vaccinia Complexes.
Cell, 179, 2019
4QQ4
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BU of 4qq4 by Molmil
CW-type zinc finger of MORC3 in complex with the amino terminus of histone H3
Descriptor: CHLORIDE ION, Histone H3.3, MORC family CW-type zinc finger protein 3, ...
Authors:Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-06-26
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
4RNN
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BU of 4rnn by Molmil
Crystal structure of human polymerase eta inserting dGMPnPP opposite DNA template containing an abasic site
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA polymerase eta, GLYCEROL, ...
Authors:Patra, A, Egli, M.
Deposit date:2014-10-24
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Structural and Kinetic Analysis of Nucleoside Triphosphate Incorporation Opposite an Abasic Site by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 290, 2015
4RNM
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BU of 4rnm by Molmil
Crystal structure of human polymerase eta inserting dAMPnPP opposite DNA template containing an abasic site
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA Primar: AGCGTCAT, DNA Template: CAT(3DR)ATGACGCT, ...
Authors:Patra, A, Egli, M.
Deposit date:2014-10-24
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.144 Å)
Cite:Structural and Kinetic Analysis of Nucleoside Triphosphate Incorporation Opposite an Abasic Site by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 290, 2015
4RQL
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BU of 4rql by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene
Descriptor: 1,2-ETHANEDIOL, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B.
Deposit date:2014-11-03
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RRT
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BU of 4rrt by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene
Descriptor: (+)-3-carene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B.
Deposit date:2014-11-06
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RNO
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BU of 4rno by Molmil
Crystal structure of human polymerase eta extending an abasic site-dA pair by inserting dCTP opposite template G
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase eta, ...
Authors:Patra, A, Egli, M.
Deposit date:2014-10-24
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural and Kinetic Analysis of Nucleoside Triphosphate Incorporation Opposite an Abasic Site by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 290, 2015
4RUI
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BU of 4rui by Molmil
Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.
Descriptor: Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, Sabinene
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2014-11-19
Release date:2015-01-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
7V26
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BU of 7v26 by Molmil
XG005-bound SARS-CoV-2 S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ...
Authors:Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022

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數據於2024-09-11公開中

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