3QU7
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![BU of 3qu7 by Molmil](/molmil-images/mine/3qu7) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13asn mutant complexed with calcium and phosphate | Descriptor: | ACETATE ION, CALCIUM ION, INORGANIC PYROPHOSPHATASE, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QU5
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![BU of 3qu5 by Molmil](/molmil-images/mine/3qu5) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp11asn mutant | Descriptor: | CHLORIDE ION, INORGANIC PYROPHOSPHATASE | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QU2
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![BU of 3qu2 by Molmil](/molmil-images/mine/3qu2) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, a closed cap conformation | Descriptor: | CHLORIDE ION, CITRIC ACID, GLYCEROL, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QUT
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![BU of 3qut by Molmil](/molmil-images/mine/3qut) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13asn mutant, an open cap conformation | Descriptor: | CHLORIDE ION, D-MALATE, INORGANIC PYROPHOSPHATASE, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-24 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QUC
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![BU of 3quc by Molmil](/molmil-images/mine/3quc) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47asn mutant complexed with sulfate | Descriptor: | INORGANIC PYROPHOSPHATASE, SULFATE ION | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QYP
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![BU of 3qyp by Molmil](/molmil-images/mine/3qyp) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47asn mutant complexed with calcium and phosphate | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-03-03 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QXG
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![BU of 3qxg by Molmil](/molmil-images/mine/3qxg) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron complexed with calcium, a closed cap conformation | Descriptor: | ACETATE ION, CALCIUM ION, INORGANIC PYROPHOSPHATASE, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-03-01 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QUB
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![BU of 3qub by Molmil](/molmil-images/mine/3qub) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47ala mutant complexed with sulfate | Descriptor: | INORGANIC PYROPHOSPHATASE, SULFATE ION | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QU4
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![BU of 3qu4 by Molmil](/molmil-images/mine/3qu4) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13ala mutant | Descriptor: | ACETATE ION, CHLORIDE ION, INORGANIC PYROPHOSPHATASE, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3R9K
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![BU of 3r9k by Molmil](/molmil-images/mine/3r9k) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47asp mutant complexed with sulfate, a closed cap conformation | Descriptor: | Putative beta-phosphoglucomutase, SULFATE ION | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-03-25 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3DD5
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![BU of 3dd5 by Molmil](/molmil-images/mine/3dd5) | Glomerella cingulata E600-cutinase complex | Descriptor: | Cutinase, DIETHYL PHOSPHONATE | Authors: | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | Deposit date: | 2008-06-05 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad J.Mol.Biol., 385, 2009
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3DCN
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![BU of 3dcn by Molmil](/molmil-images/mine/3dcn) | Glomerella cingulata apo cutinase | Descriptor: | Cutinase | Authors: | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | Deposit date: | 2008-06-04 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad J.Mol.Biol., 385, 2009
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3DEA
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![BU of 3dea by Molmil](/molmil-images/mine/3dea) | Glomerella cingulata PETFP-cutinase complex | Descriptor: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one, Cutinase | Authors: | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | Deposit date: | 2008-06-09 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad J.Mol.Biol., 385, 2009
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2OMJ
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![BU of 2omj by Molmil](/molmil-images/mine/2omj) | solution structure of LARG PDZ domain | Descriptor: | Rho guanine nucleotide exchange factor 12 | Authors: | Liu, J, Huang, H, Hu, Q. | Deposit date: | 2007-01-22 | Release date: | 2008-01-22 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | solution structure and dynamics of the LARG PDZ domain To be Published
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2OS6
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![BU of 2os6 by Molmil](/molmil-images/mine/2os6) | |
5VR7
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![BU of 5vr7 by Molmil](/molmil-images/mine/5vr7) | ABA-mimicking ligand AMF1alpha in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | Authors: | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.E, Zhu, J.-K. | Deposit date: | 2017-05-10 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.612 Å) | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants. Nat Commun, 8, 2017
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5VSQ
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![BU of 5vsq by Molmil](/molmil-images/mine/5vsq) | ABA-mimicking ligand AMF2beta in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | 1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | Authors: | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K. | Deposit date: | 2017-05-12 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.618 Å) | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants. Nat Commun, 8, 2017
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5VS5
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![BU of 5vs5 by Molmil](/molmil-images/mine/5vs5) | ABA-mimicking ligand AMF2alpha in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | 1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | Authors: | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-W, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.E, Zhu, J.-K. | Deposit date: | 2017-05-11 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants. Nat Commun, 8, 2017
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4F59
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![BU of 4f59 by Molmil](/molmil-images/mine/4f59) | Triple mutant Src SH2 domain | Descriptor: | Proto-oncogene tyrosine-protein kinase Src | Authors: | Kaneko, T, Huang, H, Cao, X, Li, C, Voss, C, Sidhu, S.S, Li, S.S. | Deposit date: | 2012-05-12 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Superbinder SH2 Domains Act as Antagonists of Cell Signaling. Sci.Signal., 5, 2012
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4F5A
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![BU of 4f5a by Molmil](/molmil-images/mine/4f5a) | Triple mutant Src SH2 domain bound to phosphate ion | Descriptor: | PHOSPHATE ION, Proto-oncogene tyrosine-protein kinase Src | Authors: | Kaneko, T, Huang, H, Cao, X, Li, C, Voss, C, Sidhu, S.S, Li, S.S. | Deposit date: | 2012-05-12 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Superbinder SH2 Domains Act as Antagonists of Cell Signaling. Sci.Signal., 5, 2012
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5VRO
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![BU of 5vro by Molmil](/molmil-images/mine/5vro) | ABA-mimicking ligand AMF1beta in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | 1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | Authors: | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K. | Deposit date: | 2017-05-11 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.257 Å) | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants. Nat Commun, 8, 2017
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4F5B
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![BU of 4f5b by Molmil](/molmil-images/mine/4f5b) | Triple mutant Src SH2 domain bound to phosphotyrosine | Descriptor: | O-PHOSPHOTYROSINE, Proto-oncogene tyrosine-protein kinase Src | Authors: | Kaneko, T, Huang, H, Cao, X, Li, C, Voss, C, Sidhu, S.S, Li, S.S. | Deposit date: | 2012-05-12 | Release date: | 2012-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Superbinder SH2 Domains Act as Antagonists of Cell Signaling. Sci.Signal., 5, 2012
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8JF3
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![BU of 8jf3 by Molmil](/molmil-images/mine/8jf3) | C-Src in complex with compound 9 | Descriptor: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Zhang, Z.M, Huang, H.S. | Deposit date: | 2023-05-17 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.84647632 Å) | Cite: | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development. Angew.Chem.Int.Ed.Engl., 63, 2024
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5VT7
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![BU of 5vt7 by Molmil](/molmil-images/mine/5vt7) | ABA-mimicking ligand AMC1beta in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | 1-(3-chloro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | Authors: | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K. | Deposit date: | 2017-05-15 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.624 Å) | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants. Nat Commun, 8, 2017
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5VSR
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![BU of 5vsr by Molmil](/molmil-images/mine/5vsr) | ABA-mimicking ligand AMF4 in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | Abscisic acid receptor PYL2, MAGNESIUM ION, N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide, ... | Authors: | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K. | Deposit date: | 2017-05-12 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.618 Å) | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants. Nat Commun, 8, 2017
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