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3V4J
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BU of 3v4j by Molmil
First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G
分子名称: 4-[methyl(nitroso)amino]benzene-1,2-diol, DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION
著者Shandilya, S.M.D, Ali, A, Schiffer, C.A.
登録日2011-12-15
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G.
Acs Chem.Biol., 7, 2012
6M1K
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BU of 6m1k by Molmil
USP7 in complex with a novel inhibitor
分子名称: Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
著者Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A.
登録日2020-02-26
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.255 Å)
主引用文献N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.
Eur.J.Med.Chem., 199, 2020
6LN0
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BU of 6ln0 by Molmil
Crystal structure of three main domains of nonstructural protein 3 from Coronavirus
分子名称: Non-structural protein 3, ZINC ION
著者Li, M.X, Peng, G.Q.
登録日2019-12-27
公開日2021-05-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献Structure of the multiple functional domains from coronavirus nonstructural protein 3.
Emerg Microbes Infect, 10, 2021
3IUR
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BU of 3iur by Molmil
apPEP_D266Nx+H2H3 opened state
分子名称: GLYCEROL, H2H3 helices from villin headpiece subdomain HP35, POLYETHYLENE GLYCOL (N=34), ...
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IVM
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BU of 3ivm by Molmil
apPEP_WT+PP closed state
分子名称: N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, prolyl endopeptidase
著者Chiu, T.K.
登録日2009-09-01
公開日2010-05-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUQ
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BU of 3iuq by Molmil
apPEP_D622N+PP closed state
分子名称: GLYCEROL, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, Prolyl Endopeptidase
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUL
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BU of 3iul by Molmil
apPEP_WT1 opened state
分子名称: GLYCEROL, Prolyl endopeptidase
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUJ
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BU of 3iuj by Molmil
apPEP_WT2 opened state
分子名称: Prolyl endopeptidase
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUN
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BU of 3iun by Molmil
apPEP_D622N opened state
分子名称: GLYCEROL, Prolyl Endopeptidase
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUM
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BU of 3ium by Molmil
apPEP_WTX opened state
分子名称: GLYCEROL, Prolyl Endopeptidase
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
5H5X
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BU of 5h5x by Molmil
Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
著者Kong, X.-D, Xu, J.-H, Zhou, J.
登録日2016-11-10
公開日2017-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
To Be Published
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
分子名称: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
分子名称: Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-21
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
分子名称: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-21
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
4LLF
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BU of 4llf by Molmil
Crystal structure of Cucumber Necrosis Virus
分子名称: CALCIUM ION, Capsid protein, ZINC ION
著者Smith, T.
登録日2013-07-09
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8891 Å)
主引用文献Atomic structure of cucumber necrosis virus and the role of the capsid in vector transmission.
J.Virol., 87, 2013
7DG0
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BU of 7dg0 by Molmil
Structure and function of Diadenylate cyclase DacM in Mycoplasma ovipneumoniae
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DAC domain-containing protein
著者Fan, S.L.
登録日2020-11-10
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Structure and function of Diadenylate cyclase DacM in Mycoplasma ovipneumoniae
To Be Published
7WA9
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BU of 7wa9 by Molmil
Crystal structure of MSMEG_5634 from Mycobacterium smegmatis
分子名称: MSMEG_5634
著者Wang, Z, Zhang, W.
登録日2021-12-12
公開日2022-10-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Novel Acyl-AcpM-Binding Protein Confers Intrinsic Sensitivity to Fatty Acid Synthase Type II Inhibitors in Mycobacterium smegmatis
Front Microbiol, 13, 2022
6QGI
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BU of 6qgi by Molmil
Crystal structure of VP5 from Haloarchaeal pleomorphic virus 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, VP5
著者El Omari, K, Walter, T.S, Harlos, K, Grimes, J.M, Stuart, D.I, Roine, E.
登録日2019-01-11
公開日2019-02-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins.
Nat Commun, 10, 2019
6QGL
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BU of 6qgl by Molmil
Crystal structure of VP5 from Haloarchaeal pleomorphic virus 6
分子名称: BROMIDE ION, VP5
著者El Omari, K, Walter, T.S, Harlos, K, Grimes, J.M, Stuart, D.I, Roine, E.
登録日2019-01-11
公開日2019-02-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins.
Nat Commun, 10, 2019
6A58
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BU of 6a58 by Molmil
Structure of histone demethylase REF6
分子名称: Lysine-specific demethylase REF6, ZINC ION
著者Tian, Z, Chen, Z.
登録日2018-06-22
公開日2019-06-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
6A57
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BU of 6a57 by Molmil
Structure of histone demethylase REF6 complexed with DNA
分子名称: DNA (5'-D(*CP*TP*TP*TP*CP*TP*CP*TP*GP*TP*TP*TP*TP*GP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*AP*AP*AP*AP*CP*AP*GP*AP*GP*AP*AP*A)-3'), GLYCEROL, ...
著者Tian, Z, Chen, Z.
登録日2018-06-22
公開日2019-06-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
2BXR
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BU of 2bxr by Molmil
Human Monoamine Oxidase A in complex with Clorgyline, Crystal Form A
分子名称: AMINE OXIDASE [FLAVIN-CONTAINING] A, FLAVIN-ADENINE DINUCLEOTIDE, N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE
著者De Colibus, L, Binda, C, Edmondson, D.E, Mattevi, A.
登録日2005-07-27
公開日2005-08-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B
Proc.Natl.Acad.Sci.USA, 102, 2005
2BXS
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BU of 2bxs by Molmil
Human Monoamine Oxidase A in complex with Clorgyline, Crystal Form B
分子名称: AMINE OXIDASE [FLAVIN-CONTAINING] A, FLAVIN-ADENINE DINUCLEOTIDE, N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE
著者De Colibus, L, Binda, C, Edmondson, D.E, Mattevi, A.
登録日2005-07-27
公開日2005-08-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B
Proc.Natl.Acad.Sci.USA, 102, 2005
2BYB
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Human Monoamine Oxidase B in complex with Deprenyl
分子名称: AMINE OXIDASE [FLAVIN-CONTAINING] B, DEPRENYL, FLAVIN-ADENINE DINUCLEOTIDE
著者Binda, C, De Colibus, L, Edmondson, D.E, Mattevi, A.
登録日2005-07-29
公開日2005-08-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B
Proc.Natl.Acad.Sci.USA, 102, 2005

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