6DQD
 
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7JU6
 | | Structure of RET protein tyrosine kinase in complex with selpercatinib | | Descriptor: | FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret, Selpercatinib | | Authors: | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | | Deposit date: | 2020-08-19 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural basis of acquired resistance to selpercatinib and pralsetinib mediated by non-gatekeeper RET mutations.
Ann Oncol, 32, 2021
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7JU5
 | | Structure of RET protein tyrosine kinase in complex with pralsetinib | | Descriptor: | FORMIC ACID, Pralsetinib, Proto-oncogene tyrosine-protein kinase receptor Ret | | Authors: | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | | Deposit date: | 2020-08-19 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of acquired resistance to selpercatinib and pralsetinib mediated by non-gatekeeper RET mutations.
Ann Oncol, 32, 2021
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7C23
 | | Crystal structure of CrmE10, a SGNH-hydrolase family esterase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Li, Z, Li, J. | | Deposit date: | 2020-05-07 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
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3PGT
 | | CRYSTAL STRUCTURE OF HGSTP1-1[I104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ... | | Authors: | Ji, X, Xiao, B. | | Deposit date: | 1999-03-22 | | Release date: | 1999-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1.
Biochemistry, 38, 1999
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4ZKI
 | | The crystal structure of Histidine Kinase YycG with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Histidine kinase | | Authors: | Cai, Y. | | Deposit date: | 2015-04-30 | | Release date: | 2016-05-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.401 Å) | | Cite: | Conformational dynamics of the essential sensor histidine kinase WalK
Acta Crystallogr D Struct Biol, 73, 2017
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4LSW
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8P5Y
 | | Artificial transfer hydrogenase with a Mn-12 cofactor and Streptavidin S112Y-K121M mutant | | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)ethyl]pentanamide, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Lau, K, Wang, W, Pojer, F, Larabi, A. | | Deposit date: | 2023-05-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Manganese Transfer Hydrogenases Based on the Biotin-Streptavidin Technology.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8P5Z
 | | Artificial transfer hydrogenase with a Mn-5 cofactor and Streptavidin S112Y-K121M mutant | | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide, BROMIDE ION, GLYCEROL, ... | | Authors: | Lau, K, Wang, W, Pojer, F, Larabi, A. | | Deposit date: | 2023-05-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Manganese Transfer Hydrogenases Based on the Biotin-Streptavidin Technology.
Angew.Chem.Int.Ed.Engl., 62, 2023
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6E4A
 | | Crystal structure of human BRD4(1) in complex with CN750 | | Descriptor: | 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Fontano, E, White, A, Lakshminarasimhan, D, Suto, R.K. | | Deposit date: | 2018-07-17 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Discovery and lead identification of quinazoline-based BRD4 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6L5M
 | | Crystal structure of human DEAD-box RNA helicase DDX21 in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Nucleolar RNA helicase 2 | | Authors: | Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X. | | Deposit date: | 2019-10-24 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
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6L5L
 | | Crystal structure of human DEAD-box RNA helicase DDX21 at apo state | | Descriptor: | MAGNESIUM ION, Nucleolar RNA helicase 2 | | Authors: | Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X. | | Deposit date: | 2019-10-24 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
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6L5N
 | | Crystal structure of human DEAD-box RNA helicase DDX21 at post-unwound state | | Descriptor: | MAGNESIUM ION, Nucleolar RNA helicase 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X. | | Deposit date: | 2019-10-24 | | Release date: | 2020-06-17 | | Last modified: | 2020-08-12 | | Method: | X-RAY DIFFRACTION (2.242 Å) | | Cite: | Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
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6L5O
 | | Crystal structure of human DEAD-box RNA helicase DDX21 at post-hydrolysis state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X. | | Deposit date: | 2019-10-24 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
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6OC7
 | | HMP42 Fab in complex with Protein G | | Descriptor: | Heavy chain of HMP42 Fab, Immunoglobulin G-binding protein G, Light chain for HMP42 Fab | | Authors: | Bernard, S.M, Wilson, I.A. | | Deposit date: | 2019-03-22 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.296 Å) | | Cite: | A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
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6Q0D
 | | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | | Authors: | Dranow, D.M, Davies, D.R. | | Deposit date: | 2019-08-01 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
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6Q13
 | | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ... | | Authors: | Davies, D.R, Dranow, D.M. | | Deposit date: | 2019-08-02 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
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6KFW
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4I5X
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid | | Descriptor: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y. | | Deposit date: | 2012-11-29 | | Release date: | 2013-10-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
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4PGT
 | | CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ... | | Authors: | Ji, X, Blaszczyk, J. | | Deposit date: | 1999-03-22 | | Release date: | 1999-09-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1.
Biochemistry, 38, 1999
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5CA9
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5CA8
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3BBF
 | | Crystal structure of the NM23-H2 transcription factor complex with GDP | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Weichsel, A, Montfort, W.R. | | Deposit date: | 2007-11-09 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NM23-H2 may play an indirect role in transcriptional activation of c-myc gene expression but does not cleave the nuclease hypersensitive element III1.
Mol.Cancer Ther., 8, 2009
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3BBB
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3BBC
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