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4B5U
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BU of 4b5u by Molmil
Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with pyruvate and succinic semialdehyde
分子名称: 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, 4-oxobutanoic acid, COBALT (II) ION, ...
著者Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J.
登録日2012-08-07
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.913 Å)
主引用文献Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
4B5T
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BU of 4b5t by Molmil
Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with ketobutyrate
分子名称: 2-KETOBUTYRIC ACID, 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, COBALT (II) ION, ...
著者Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J.
登録日2012-08-07
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.923 Å)
主引用文献Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
4B5W
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BU of 4b5w by Molmil
Crystal structures of divalent metal dependent pyruvate aldolase R70A mutant, HpaI, in complex with pyruvate
分子名称: 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, CALCIUM ION, COBALT (II) ION, ...
著者Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J.
登録日2012-08-07
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
4L7J
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BU of 4l7j by Molmil
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)
分子名称: 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M.
登録日2013-06-13
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
4L7H
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BU of 4l7h by Molmil
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)
分子名称: 2-[(3aR,7aR)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1, ...
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M.
登録日2013-06-13
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
5CZW
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BU of 5czw by Molmil
Crystal structure of myroilysin
分子名称: Myroilysin, ZINC ION
著者Zhou, J, Ran, T, Xu, D, Wang, W.
登録日2015-08-01
公開日2016-08-03
最終更新日2017-04-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Myroilysin is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Activated by a Cysteine-switch Mechanism
J. Biol. Chem., 292, 2017
5GO3
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BU of 5go3 by Molmil
Crystal structure of a di-nucleotide cyclase Vibrio mutant
分子名称: Cyclic GMP-AMP synthase
著者Ming, Z.H, Wang, W, Xie, Y.C, Chen, Y.C, Yan, L.M, Lou, Z.Y.
登録日2016-07-26
公開日2016-11-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a di-nucleotide cyclase Vibrio mutant
To Be Published
4QYP
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BU of 4qyp by Molmil
The Crystal Structures of holo-wt human Cellular Retinol Binding protein II (hCRBPII) bound to Retinal
分子名称: ACETATE ION, RETINAL, Retinol-binding protein 2
著者Nossoni, Z, Assar, Z, Yapici, I, Nosrati, M, Wang, W, Berbasova, T, Vasileiou, C, Borhan, B, Geiger, H.
登録日2014-07-25
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal.
Acta Crystallogr.,Sect.D, 70, 2014
4QYN
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BU of 4qyn by Molmil
The Crystal Structures of holo-wt human Cellular Retinol Binding protein II (hCRBPII) bound to Retinol
分子名称: ACETATE ION, RETINOL, Retinol-binding protein 2
著者Nossoni, Z, Assar, Z, Yapici, I, Nosrati, M, Wang, W, Berbasova, T, Vasileiou, C, Borhan, B, Geiger, H.
登録日2014-07-24
公開日2014-12-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal.
Acta Crystallogr.,Sect.D, 70, 2014
4TNP
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BU of 4tnp by Molmil
Structural basis of cellular dNTP regulation, SAMHD1-GTP-dCTP-cCTP complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-04
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TO5
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BU of 4to5 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dTTP-dCTP complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TNX
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Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP complex
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
7R9L
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BU of 7r9l by Molmil
Crystal structure of HPK1 in complex with compound 2
分子名称: 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, Hematopoietic progenitor kinase
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.332 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9P
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Crystal structure of HPK1 in complex with compound 14
分子名称: 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide, Hematopoietic progenitor kinase, SULFATE ION
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9T
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Crystal structure of HPK1 in complex with compound 17
分子名称: 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9N
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BU of 7r9n by Molmil
Crystal structure of HPK1 in complex with GNE1858
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ...
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
8DN2
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BU of 8dn2 by Molmil
Cryo-EM structure of human Glycine Receptor alpha1-beta heteromer, glycine-bound state 2(expanded open)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, GLYCINE, ...
著者Liu, X, Wang, W.
登録日2022-07-10
公開日2023-10-11
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Asymmetric gating of a human hetero-pentameric glycine receptor.
Nat Commun, 14, 2023
8DN4
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BU of 8dn4 by Molmil
Cryo-EM structure of human Glycine Receptor alpha-1 beta heteromer, glycine-bound state3(desensitized state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alpha-1, Glycine receptor subunit beta,Green fluorescent protein,Glycine receptor beta, ...
著者Liu, X, Wang, W.
登録日2022-07-10
公開日2023-10-11
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Asymmetric gating of a human hetero-pentameric glycine receptor.
Nat Commun, 14, 2023
8DN3
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Cryo-EM structure of human Glycine Receptor alpha1-beta heteromer, apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ...
著者Liu, X, Wang, W.
登録日2022-07-10
公開日2023-10-11
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Asymmetric gating of a human hetero-pentameric glycine receptor.
Nat Commun, 14, 2023
4TO3
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BU of 4to3 by Molmil
Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dCTP complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TO0
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BU of 4to0 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dCTP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TO2
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BU of 4to2 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dGTP/dTTP complex
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TO1
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BU of 4to1 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP/dCTP-dCTP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
5D7W
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BU of 5d7w by Molmil
Crystal structure of serralysin
分子名称: CALCIUM ION, GLYCEROL, Serralysin, ...
著者Wu, D, Ran, T, Xu, D.Q, Wang, W.
登録日2015-08-14
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of a thermostable serralysin from Serratia sp. FS14 at 1.1 angstrom resolution.
Acta Crystallogr.,Sect.F, 72, 2016
4TNZ
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Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dTTP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014

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