6KND
 
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6L5Z
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7XL5
 | | Crystal structure of the H42T/A85G/I86A mutant of a nadp-dependent alcohol dehydrogenase | | Descriptor: | NADP-dependent isopropanol dehydrogenase | | Authors: | Jiang, Y.Y, Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D. | | Deposit date: | 2022-04-21 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | Engineering the hydrogen transfer pathway of an alcohol dehydrogenase to increase activity by rational enzyme design
Mol Catal, 530, 2022
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5ZQ8
 | | Crystal structure of spRlmCD with U747 stemloop RNA | | Descriptor: | NICKEL (II) ION, RNA (5'-R(*CP*CP*GP*UP*(MUM)P*GP*AP*AP*AP*AP*GP*G)-3'), S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Jiang, Y.Y, Yu, H.L. | | Deposit date: | 2018-04-17 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
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5ZTH
 | | Crystal structure of spRlmCD with U1939loop RNA at 3.24 angstrom | | Descriptor: | RNA (5'-R(P*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029 | | Authors: | Jiang, Y.Y, Yu, H.L. | | Deposit date: | 2018-05-03 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
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5XIW
 | | Crystal structure of T2R-TTL-Colchicine complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, Y, Yang, J, Wang, T, Chen, L. | | Deposit date: | 2017-04-27 | | Release date: | 2018-04-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
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5XP3
 | | Crystal structure of apo T2R-TTL | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, Y, Yang, J, Wang, T, Chen, L. | | Deposit date: | 2017-05-31 | | Release date: | 2017-10-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
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5YL2
 | | Crystal structure of T2R-TTL-Y28 complex | | Descriptor: | (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Yang, J.H, Yang, T, Wen, J.L, Chen, L.J. | | Deposit date: | 2017-10-16 | | Release date: | 2018-04-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
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5ZQ1
 | | Crystal structure of spRlmCD with U1939loop RNA at 3.10 angstrom | | Descriptor: | RNA (5'-R(*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029 | | Authors: | Yu, H.L, Jiang, Y.Y. | | Deposit date: | 2018-04-17 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
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5ZQ0
 | | Crystal structure of spRlmCD with U747loop RNA | | Descriptor: | RNA (5'-R(*GP*UP*(MUM)P*GP*AP*AP*AP*A)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029 | | Authors: | Jiang, Y.Y, Yu, H.L. | | Deposit date: | 2018-04-17 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
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4KTC
 | | NS3/NS4A protease with inhibitor | | Descriptor: | (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ... | | Authors: | Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2013-05-20 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014
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6AH7
 | | D45W/H226G mutant of marine bacterial prolidase | | Descriptor: | MANGANESE (II) ION, SODIUM ION, SULFATE ION, ... | | Authors: | Jian, Y, Yunzhu, X, Lijuan, L. | | Deposit date: | 2018-08-17 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Repurposing a bacterial prolidase for organophosphorus hydrolysis: Reshaped catalytic cavity switches substrate selectivity.
Biotechnol.Bioeng., 117, 2020
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6AH8
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4OUM
 | | Crystal structure of human Caprin-2 C1q domain | | Descriptor: | CITRATE ANION, Caprin-2, ISOPROPYL ALCOHOL, ... | | Authors: | Song, X, Li, L. | | Deposit date: | 2014-02-18 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.491 Å) | | Cite: | Structural insights into the C1q domain of Caprin-2 in canonical Wnt signaling
J.Biol.Chem., 289, 2014
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6DKD
 | | Yeast Ddi2 Cyanamide Hydratase | | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | | Authors: | Moore, S.A, Xiao, W, Li, J. | | Deposit date: | 2018-05-29 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
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6DKC
 | | Yeast Ddi2 Cyanamide Hydratase, T157V mutant, apo structure | | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | | Authors: | Moore, S.A, Xiao, W, Li, J. | | Deposit date: | 2018-05-29 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
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2TIO
 | | LOW PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE | | Descriptor: | BENZAMIDINE, CALCIUM ION, HEXANE, ... | | Authors: | Huang, Q, Zhu, G, Tang, Q. | | Deposit date: | 1998-09-23 | | Release date: | 1998-09-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane.
Biochim.Biophys.Acta, 1429, 1998
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3V5Q
 | | Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models | | Descriptor: | 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea, CHLORIDE ION, NT-3 growth factor receptor | | Authors: | Kreusch, A. | | Deposit date: | 2011-12-16 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2001 Å) | | Cite: | Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models.
ACS Med Chem Lett, 3, 2012
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3HPM
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3HPK
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6DKA
 | | Yeast Ddi2 Cyanamide Hydratase | | Descriptor: | CYANAMIDE, DNA damage-inducible protein, SULFATE ION, ... | | Authors: | Moore, S.A, Xiao, W, Li, J. | | Deposit date: | 2018-05-29 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
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6DK9
 | | Yeast Ddi2 Cyanamide Hydratase | | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | | Authors: | Moore, S.A, Xiao, W, Li, J. | | Deposit date: | 2018-05-29 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
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7XUF
 | | Cryo-EM structure of the AKT1-AtKC1 complex from Arabidopsis thaliana | | Descriptor: | POTASSIUM ION, Potassium channel AKT1, Potassium channel KAT3 | | Authors: | Yang, G.H, Lu, Y.M, Jia, Y.T, Yang, F, Zhang, Y.M, Xu, X, Li, X.M, Lei, J.L. | | Deposit date: | 2022-05-18 | | Release date: | 2022-11-09 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis.
Nat Commun, 13, 2022
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6UIP
 | | DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133. | | Descriptor: | 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2019-10-01 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
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4YNE
 | | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | | Descriptor: | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ... | | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | | Deposit date: | 2015-03-09 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.0229 Å) | | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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