4TMR
 
 | | Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate . | | Descriptor: | CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C. | | Deposit date: | 2014-06-02 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities.
J.Med.Chem., 58, 2015
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8H9D
 | | Crystal structure of Cas12a protein | | Descriptor: | Cas12A, MAGNESIUM ION, RNA (5'-R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)-3'), ... | | Authors: | Jianwei, L, Jobichen, C, Sivaraman, J. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of apo Cas12a and its complex with crRNA and DNA reveal the dynamics of ternary complex formation and target DNA cleavage.
Plos Biol., 21, 2023
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8I54
 | | Lb2Cas12a RNA DNA complex | | Descriptor: | DNA (25-MER), DNA (5'-D(*AP*GP*TP*GP*CP*TP*TP*TP*A)-3'), Lb2Cas12a, ... | | Authors: | Li, J, Sivaraman, J, Satoru, M. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-22 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Structures of apo Cas12a and its complex with crRNA and DNA reveal the dynamics of ternary complex formation and target DNA cleavage.
Plos Biol., 21, 2023
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5C9C
 | | CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND | | Descriptor: | 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase B-raf | | Authors: | Edwards, T, Abendroth, J, Chun, L. | | Deposit date: | 2015-06-26 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers.
Cancer Cell, 28, 2015
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8XOM
 | | Cryo-EM structure of human ABCC4 in complex with ANP-bound in NBD1 and METHOTREXATE | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ... | | Authors: | Zhang, P.F, Liu, Z. | | Deposit date: | 2024-01-01 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 2024
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8XOL
 | | Cryo-EM structure of human ABCC4 with ANP bound in NBD1 | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ... | | Authors: | Zhang, P.F, Liu, Z. | | Deposit date: | 2024-01-01 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 2024
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5BQI
 | | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ... | | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | | Deposit date: | 2015-05-29 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
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5BQH
 | | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ... | | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | | Deposit date: | 2015-05-29 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
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5BQG
 | | Crystal Structure of mPGES-1 Bound to an Inhibitor | | Descriptor: | 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | | Deposit date: | 2015-05-29 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.436 Å) | | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
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2D3F
 | | Crystal structures of collagen model peptides (Pro-Pro-Gly)4-Pro-Hyp-Gly-(Pro-Pro-Gly)4 | | Descriptor: | COLLAGEN MODEL PEPTIDES (PRO-PRO-GLY)4-PRO-HYP-GLY-(PRO-PRO-GLY)4 | | Authors: | Wu, G, Noguchi, K, Okuyama, K, Ebisuzaki, S, Nishino, N. | | Deposit date: | 2005-09-27 | | Release date: | 2006-09-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | High-resolution structures of collagen-like peptides [(Pro-Pro-Gly)(4)-Xaa-Yaa-Gly-(Pro-Pro-Gly)(4)]: Implications for triple-helix hydration and Hyp(X) puckering.
Biopolymers, 91, 2009
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5GK9
 | | Crystal structure of human HBO1 in complex with BRPF2 | | Descriptor: | ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ... | | Authors: | Tao, Y, Zhu, J, Xu, S, Ding, J. | | Deposit date: | 2016-07-04 | | Release date: | 2017-03-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and mechanistic insights into regulation of HBO1 histone acetyltransferase activity by BRPF2.
Nucleic Acids Res., 45, 2017
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2D3H
 | | Crystal structures of collagen model peptides (Pro-Pro-Gly)4-Hyp-Hyp-Gly-(Pro-Pro-Gly)4 | | Descriptor: | COLLAGEN MODEL PEPTIDES (PRO-PRO-GLY)4-HYP-HYP-GLY-(PRO-PRO-GLY)4 | | Authors: | Wu, G, Noguchi, K, Okuyama, K, Mizuno, K, Bachinger, H.P. | | Deposit date: | 2005-09-28 | | Release date: | 2006-09-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | High-resolution structures of collagen-like peptides [(Pro-Pro-Gly)(4)-Xaa-Yaa-Gly-(Pro-Pro-Gly)(4)]: Implications for triple-helix hydration and Hyp(X) puckering.
Biopolymers, 91, 2009
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3MAR
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3MAS
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2HHL
 | | Crystal structure of the human small CTD phosphatase 3 isoform 1 | | Descriptor: | 12-TUNGSTOPHOSPHATE, CTD small phosphatase-like protein | | Authors: | Malashkevich, V.N, Toro, R, Ramagopal, U, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-06-28 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
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3T8L
 | | Crystal Structure of adenine deaminase with Mn/Fe | | Descriptor: | Adenine deaminase 2, UNKNOWN ATOM OR ION | | Authors: | Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2011-08-01 | | Release date: | 2011-11-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The catalase activity of diiron adenine deaminase.
Protein Sci., 20, 2011
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3DOF
 | | Complex of ARL2 and BART, Crystal Form 2 | | Descriptor: | ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Zhang, T, Li, S, Ding, J. | | Deposit date: | 2008-07-04 | | Release date: | 2009-03-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector
Structure, 17, 2009
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2QFY
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3DOE
 | | Complex of ARL2 and BART, Crystal Form 1 | | Descriptor: | ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Zhang, T, Li, S, Ding, J. | | Deposit date: | 2008-07-04 | | Release date: | 2009-03-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector
Structure, 17, 2009
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2QFV
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2QFX
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2QFW
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4EUE
 | | Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase in complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Putative reductase CA_C0462, SODIUM ION | | Authors: | Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J. | | Deposit date: | 2012-04-25 | | Release date: | 2012-11-28 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
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4EUF
 | | Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase in complex with NAD | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative reductase CA_C0462, SODIUM ION | | Authors: | Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J. | | Deposit date: | 2012-04-25 | | Release date: | 2012-11-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
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4EUH
 | | Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase apo form | | Descriptor: | Putative reductase CA_C0462, SODIUM ION | | Authors: | Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J. | | Deposit date: | 2012-04-25 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
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