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2HK7
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BU of 2hk7 by Molmil
Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with mercury at 2.5 angstrom resolution
Descriptor: MERCURY (II) ION, Shikimate dehydrogenase
Authors:Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X.
Deposit date:2006-07-03
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
3GF9
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BU of 3gf9 by Molmil
Crystal structure of human Intersectin 2 RhoGEF domain
Descriptor: Intersectin 2, UNKNOWN ATOM OR ION
Authors:Shen, Y, Tong, Y, Tempel, W, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-02-26
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human Intersectin 2 RhoGEF domain
To be Published
4YWQ
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BU of 4ywq by Molmil
Crystal structure of the ROQ domain of human Roquin-1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Dong, A, Zhang, Q, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2015-03-20
Release date:2015-04-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the ROQ domain of human Roquin-1
To be Published
5JWH
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BU of 5jwh by Molmil
Apo structure
Descriptor: 1,2-ETHANEDIOL, NS3 helicase
Authors:Cao, X, Li, Y, Jin, T.
Deposit date:2016-05-12
Release date:2016-11-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
7MEQ
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BU of 7meq by Molmil
Crystal structure of human TMPRSS2 in complex with Nafamostat
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Transmembrane protease serine 2, ...
Authors:Fraser, B, Beldar, S, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Benard, F, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-04-07
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation.
Nat.Chem.Biol., 18, 2022
5K8T
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BU of 5k8t by Molmil
Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S and an magnesium ion
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Cao, X, Li, Y, Jin, T.
Deposit date:2016-05-31
Release date:2016-11-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
5K8I
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BU of 5k8i by Molmil
Crystal structure of ZIKV NS3 helicase in complex with ATP and Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Cao, X, Li, Y, Jin, T.
Deposit date:2016-05-30
Release date:2016-11-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
5K8L
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BU of 5k8l by Molmil
Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ...
Authors:Cao, X, Li, Y, Jin, T.
Deposit date:2016-05-30
Release date:2016-11-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
5K8U
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BU of 5k8u by Molmil
Crystal structure of ZIKV NS3 helicase in complex with ADP and Mn2+
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Cao, X, Li, Y, Jin, T.
Deposit date:2016-05-31
Release date:2016-11-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
9BHR
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BU of 9bhr by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
9C1Q
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BU of 9c1q by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ...
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L.
Deposit date:2024-05-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
To be published
9BKS
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BU of 9bks by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12
Authors:Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-29
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
To be published
9BKR
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BU of 9bkr by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION
Authors:Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-29
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
To be published
9BUL
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BU of 9bul by Molmil
The structure of NiaR from Thermotoga maritima bound to nicotinic acid
Descriptor: FE (II) ION, NICOTINIC ACID, PROLINE, ...
Authors:Glasfeld, A, Cheng, D.W.C, Li, Y.
Deposit date:2024-05-17
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of NiaR from Thermotoga maritima bound to nicotinic acid
To Be Published
5ICK
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BU of 5ick by Molmil
A unique binding model of FXR LBD with feroline
Descriptor: (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate, Bile acid receptor, Nuclear receptor coactivator 2
Authors:Lu, Y, Li, Y.
Deposit date:2016-02-23
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
4QN1
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BU of 4qn1 by Molmil
Crystal Structure of a Functionally Uncharacterized Domain of E3 Ubiquitin Ligase SHPRH
Descriptor: E3 ubiquitin-protein ligase SHPRH, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Zhang, Q, Li, Y, Walker, J.R, Guan, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-06-17
Release date:2014-08-13
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of a Function Uncharacterized Domain of E3 Ubiquitin Ligase SHPRH
To be Published
5B73
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BU of 5b73 by Molmil
Crystal structure of human ZMYND8 PHD-Bromo-PWWP domain
Descriptor: Protein kinase C-binding protein 1, ZINC ION
Authors:Li, H, Li, Y, Zheng, X.
Deposit date:2016-06-03
Release date:2016-11-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ZMYND8 Reads the Dual Histone Mark H3K4me1-H3K14ac to Antagonize the Expression of Metastasis-Linked Genes
Mol.Cell, 63, 2016
6LZ2
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BU of 6lz2 by Molmil
Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb44)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D.
Deposit date:2020-02-17
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:An improved fluorescent tag and its nanobodies for membrane protein expression, stability assay, and purification.
Commun Biol, 3, 2020
4QT6
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BU of 4qt6 by Molmil
Crystal structure of the SPRY domain of human HERC1
Descriptor: FORMAMIDE, Probable E3 ubiquitin-protein ligase HERC1, UNKNOWN ATOM OR ION
Authors:Dong, A, Hu, J, Guan, X, Wernimont, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-07-07
Release date:2015-01-07
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of the SPRY domain of human HERC1
To be Published
4RXX
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BU of 4rxx by Molmil
Crystal Structure of the N-terminal Domain of Human Ubiquitin Specific Protease 38
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Shen, L, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-12-12
Release date:2015-01-21
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of the N-terminal Domain of Human Ubiquitin Specific Protease 38
to be published
5IAW
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BU of 5iaw by Molmil
Novel natural FXR modulator with a unique binding mode
Descriptor: (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
Authors:Lu, Y, Li, Y.
Deposit date:2016-02-22
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
3FHA
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BU of 3fha by Molmil
Structure of endo-beta-N-acetylglucosaminidase A
Descriptor: CALCIUM ION, Endo-beta-N-acetylglucosaminidase, GLYCEROL, ...
Authors:Yin, J, Li, L, Shaw, N, Li, Y, Song, J.K, Zhang, W, Xia, C, Zhang, R, Joachimiak, A, Zhang, H.C, Wang, L.X, Wang, P, Liu, Z.J.
Deposit date:2008-12-09
Release date:2009-04-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis and catalytic mechanism for the dual functional endo-beta-N-acetylglucosaminidase A.
Plos One, 4, 2009
4TVR
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BU of 4tvr by Molmil
Tandem Tudor and PHD domains of UHRF2
Descriptor: E3 ubiquitin-protein ligase UHRF2, UNKNOWN ATOM OR ION, ZINC ION
Authors:Walker, J.R, Dong, A, Zhang, Q, Ong, M, Duan, S, Li, Y, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure of the Tandem Tudor and PHD domains of UHRF2
To be published
4I42
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BU of 4i42 by Molmil
E.coli. 1,4-dihydroxy-2-naphthoyl coenzyme A synthase (ecMenB) in complex with 1-hydroxy-2-naphthoyl-CoA
Descriptor: 1,2-ETHANEDIOL, 1,4-Dihydroxy-2-naphthoyl-CoA synthase, 1-hydroxy-2-naphthoyl-CoA, ...
Authors:Sun, Y, Song, H, Li, J, Li, Y, Jiang, M, Zhou, J, Guo, Z.
Deposit date:2012-11-27
Release date:2013-05-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme A synthase from the crotonase fold superfamily
Plos One, 8, 2013
3JZY
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BU of 3jzy by Molmil
Crystal structure of human Intersectin 2 C2 domain
Descriptor: Intersectin 2, UNKNOWN ATOM OR ION
Authors:Shen, Y, Tempel, W, Tong, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-24
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of human Intersectin 2 C2 domain
To be Published

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數據於2024-10-09公開中

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