5IH9
 
 | | MELK in complex with NVS-MELK8A | | Descriptor: | 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase | | Authors: | Sprague, E.R, Puleo, D.E. | | Deposit date: | 2016-02-29 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
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6LHD
 | | Crystal structure of p53/BCL-xL fusion complex | | Descriptor: | ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53 | | Authors: | Wei, H, Chen, Y. | | Deposit date: | 2019-12-07 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021
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5IH8
 | | MELK in complex with NVS-MELK1 | | Descriptor: | Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide | | Authors: | Sprague, E.R, Puleo, D.E. | | Deposit date: | 2016-02-29 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
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6M5T
 | | The coordinate of the nuclease domain of the apo terminase complex | | Descriptor: | Tripartite terminase subunit 3 | | Authors: | Yang, Y.X, Yang, P, Wang, N, Chen, Z.H, Zhou, Z.H, Rao, Z.H, Wang, X.X. | | Deposit date: | 2020-03-11 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Architecture of the herpesvirus genome-packaging complex and implications for DNA translocation.
Protein Cell, 11, 2020
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2E9O
 | | Structure of h-CHK1 complexed with AA582939 | | Descriptor: | 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID, Serine/threonine-protein kinase Chk1 | | Authors: | Park, C. | | Deposit date: | 2007-01-26 | | Release date: | 2008-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Bioorg.Med.Chem., 15, 2007
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6P66
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6BB1
 | | Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | | Descriptor: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2017-10-16 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
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2E9V
 | | Structure of h-CHK1 complexed with A859017 | | Descriptor: | 18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE, Serine/threonine-protein kinase Chk1 | | Authors: | Park, C. | | Deposit date: | 2007-01-27 | | Release date: | 2008-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design, Synthesis and Biological Evaluation of Potent Selective Macrocyclic Chk1 Inhibitors
To be Published
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2E9P
 | | Structure of h-CHK1 complexed with A771129 | | Descriptor: | 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA, Serine/threonine-protein kinase Chk1 | | Authors: | Park, C. | | Deposit date: | 2007-01-26 | | Release date: | 2008-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design, Synthesis and Biological Evaluation of Potent and Selective Macrocyclic Chk1 Inhibitors
To be Published
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2E9U
 | | Structure of h-CHK1 complexed with A780125 | | Descriptor: | 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE, Serine/threonine-protein kinase Chk1 | | Authors: | Park, C. | | Deposit date: | 2007-01-27 | | Release date: | 2008-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design, Synthesis and Biological Evaluation of Potent Selective Macrocyclic Chk1 Inhibitors
To be Published
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6M5V
 | | The coordinate of the hexameric terminase complex in the presence of the ADP-BeF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Yang, Y.X, Yang, P, Wang, N, Chen, Z.H, Zhou, Z.H, Rao, Z.H, Wang, X.X. | | Deposit date: | 2020-03-11 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Architecture of the herpesvirus genome-packaging complex and implications for DNA translocation.
Protein Cell, 11, 2020
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6BB2
 | | Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | | Descriptor: | (2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2017-10-16 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
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3ZWX
 | | Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-ADP- ribose | | Descriptor: | ADP-RIBOSYL CYCLASE, CHLORIDE ION, [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | | Deposit date: | 2011-08-03 | | Release date: | 2012-08-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase.
To be Published
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3ZWP
 | | Crystal structure of ADP ribosyl cyclase complexed with ara-2'F-ADP- ribose at 2.1 angstrom | | Descriptor: | ADP-RIBOSYL CYCLASE, GLYCEROL, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | | Deposit date: | 2011-08-02 | | Release date: | 2011-11-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase.
J.Mol.Biol., 415, 2012
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7WY5
 | | ADGRL3/Gq complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | | Authors: | He, Y, Qian, Y. | | Deposit date: | 2022-02-15 | | Release date: | 2022-10-26 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling.
Mol.Cell, 82, 2022
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7WY8
 | | ADGRL3/Gs complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | | Authors: | He, Y, Qian, Y. | | Deposit date: | 2022-02-15 | | Release date: | 2022-10-26 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling
Mol.Cell, 82, 2022
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7WYB
 | | ADGRL3/Gi complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | He, Y, Qian, Y. | | Deposit date: | 2022-02-15 | | Release date: | 2022-10-26 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and G q , G s , G i , and G 12 coupling.
Mol.Cell, 82, 2022
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6PE4
 | | Yeast Vo motor in complex with 1 VopQ molecule | | Descriptor: | Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ... | | Authors: | Peng, W, Li, Y, Tomchick, D.R, Orth, K. | | Deposit date: | 2019-06-20 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
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6BAG
 | | Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | | Descriptor: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2017-10-12 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
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6BB0
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6IRO
 | | the crosslinked complex of ISWI-nucleosome in the ADP-bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (167-MER), Histone H2A, ... | | Authors: | Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C. | | Deposit date: | 2018-11-13 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat. Struct. Mol. Biol., 26, 2019
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6BAZ
 | | Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | | Descriptor: | (3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2017-10-16 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
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6BAD
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4A66
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: D116A mutant | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, PEROXIDE ION, ... | | Authors: | Silva, C.S, Lindley, P.F, Bento, I. | | Deposit date: | 2011-10-31 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Acta Crystallogr.,Sect.D, 68, 2012
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3ZWN
 | | Crystal structure of Aplysia cyclase complexed with substrate NGD and product cGDPR | | Descriptor: | 3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYD ROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2- YL]PYRIDINIUM, ADP-RIBOSYL CYCLASE, CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE | | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | | Deposit date: | 2011-08-02 | | Release date: | 2011-11-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase.
J.Mol.Biol., 415, 2012
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