4B5S
| Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with pyruvate | Descriptor: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, COBALT (II) ION, D-Glyceraldehyde, ... | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | Deposit date: | 2012-08-07 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity J.Biol.Chem., 287, 2012
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4L7G
| Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE1) | Descriptor: | (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE | Authors: | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M. | Deposit date: | 2013-06-13 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | 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
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4LC7
| Aminooxazoline inhibitor of BACE-1 | Descriptor: | (3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine, Beta-Secretase-1, NICKEL (II) ION | Authors: | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wu, C, Wang, W, Smith, D, Vigers, G.P.A, Dutcher, D, Hunt, K.W, Siu, M. | Deposit date: | 2013-06-21 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
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4B5V
| Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with 4-hydroxyl-2-ketoheptane-1,7-dioate | Descriptor: | (4R)-4-oxidanyl-2-oxidanylidene-heptanedioic acid, 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, GLYCEROL, ... | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | Deposit date: | 2012-08-07 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.041 Å) | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity J.Biol.Chem., 287, 2012
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4B5U
| Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with pyruvate and succinic semialdehyde | Descriptor: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, 4-oxobutanoic acid, COBALT (II) ION, ... | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | Deposit date: | 2012-08-07 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.913 Å) | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity J.Biol.Chem., 287, 2012
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4B5T
| Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with ketobutyrate | Descriptor: | 2-KETOBUTYRIC ACID, 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, COBALT (II) ION, ... | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | Deposit date: | 2012-08-07 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.923 Å) | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity J.Biol.Chem., 287, 2012
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4B5W
| Crystal structures of divalent metal dependent pyruvate aldolase R70A mutant, HpaI, in complex with pyruvate | Descriptor: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, CALCIUM ION, COBALT (II) ION, ... | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | Deposit date: | 2012-08-07 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity J.Biol.Chem., 287, 2012
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4L7J
| 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) | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2013-06-13 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | 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
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4L7H
| 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) | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2013-06-13 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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
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5CZW
| Crystal structure of myroilysin | Descriptor: | Myroilysin, ZINC ION | Authors: | Zhou, J, Ran, T, Xu, D, Wang, W. | Deposit date: | 2015-08-01 | Release date: | 2016-08-03 | Last modified: | 2017-04-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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
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5GO3
| Crystal structure of a di-nucleotide cyclase Vibrio mutant | Descriptor: | Cyclic GMP-AMP synthase | Authors: | Ming, Z.H, Wang, W, Xie, Y.C, Chen, Y.C, Yan, L.M, Lou, Z.Y. | Deposit date: | 2016-07-26 | Release date: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a di-nucleotide cyclase Vibrio mutant To Be Published
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4QYP
| The Crystal Structures of holo-wt human Cellular Retinol Binding protein II (hCRBPII) bound to Retinal | Descriptor: | ACETATE ION, RETINAL, Retinol-binding protein 2 | Authors: | Nossoni, Z, Assar, Z, Yapici, I, Nosrati, M, Wang, W, Berbasova, T, Vasileiou, C, Borhan, B, Geiger, H. | Deposit date: | 2014-07-25 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal. Acta Crystallogr.,Sect.D, 70, 2014
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4QYN
| The Crystal Structures of holo-wt human Cellular Retinol Binding protein II (hCRBPII) bound to Retinol | Descriptor: | ACETATE ION, RETINOL, Retinol-binding protein 2 | Authors: | Nossoni, Z, Assar, Z, Yapici, I, Nosrati, M, Wang, W, Berbasova, T, Vasileiou, C, Borhan, B, Geiger, H. | Deposit date: | 2014-07-24 | Release date: | 2014-12-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal. Acta Crystallogr.,Sect.D, 70, 2014
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4TNP
| Structural basis of cellular dNTP regulation, SAMHD1-GTP-dCTP-cCTP complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-04 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4TO5
| Structure basis of cellular dNTP regulation, SAMHD1-GTP-dTTP-dCTP complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4TNX
| Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP complex | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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7R9L
| Crystal structure of HPK1 in complex with compound 2 | Descriptor: | 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, Hematopoietic progenitor kinase | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2021-06-29 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.332 Å) | Cite: | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
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7R9P
| Crystal structure of HPK1 in complex with compound 14 | Descriptor: | 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 | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2021-06-29 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
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7R9T
| Crystal structure of HPK1 in complex with compound 17 | Descriptor: | 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 | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2021-06-29 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
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7R9N
| Crystal structure of HPK1 in complex with GNE1858 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ... | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2021-06-29 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
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8DN2
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8DN4
| Cryo-EM structure of human Glycine Receptor alpha-1 beta heteromer, glycine-bound state3(desensitized state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alpha-1, Glycine receptor subunit beta,Green fluorescent protein,Glycine receptor beta, ... | Authors: | Liu, X, Wang, W. | Deposit date: | 2022-07-10 | Release date: | 2023-10-11 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Asymmetric gating of a human hetero-pentameric glycine receptor. Nat Commun, 14, 2023
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8DN3
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4TO3
| Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dCTP complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4TO0
| Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dCTP complex | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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