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3WVK
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BU of 3wvk by Molmil
Time-Resolved Crystal Structure of HindIII with 230sec soaking
Descriptor: DNA (5'-D(*GP*CP*CP*A)-3'), DNA (5'-D(*GP*CP*CP*AP*AP*GP*CP*TP*TP*GP*GP*C)-3'), DNA (5'-D(P*AP*GP*CP*TP*TP*GP*GP*C)-3'), ...
Authors:Kawamura, T, Kobayashi, T, Watanabe, N.
Deposit date:2014-05-22
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analysis of the HindIII-catalyzed reaction by time-resolved crystallography
Acta Crystallogr.,Sect.D, 71, 2015
4JFA
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BU of 4jfa by Molmil
Crystal Structure of Plasmodium falciparum Tryptophanyl-tRNA synthetase
Descriptor: BETA-MERCAPTOETHANOL, POTASSIUM ION, TRYPTOPHAN, ...
Authors:Khan, S, Garg, A, Manickam, Y, Sharma, A.
Deposit date:2013-02-28
Release date:2014-01-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An appended domain results in an unusual architecture for malaria parasite tryptophanyl-tRNA synthetase
Plos One, 8, 2013
8BBS
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BU of 8bbs by Molmil
Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor
Descriptor: (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P.
Deposit date:2022-10-14
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis.
Rsc Med Chem, 14, 2023
4J9P
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BU of 4j9p by Molmil
Human DNA polymerase eta-DNA postinsertion binary complex with TA base pair
Descriptor: DNA (5'-D(*C*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*TP*A)-3'), DNA polymerase eta, ...
Authors:Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
Deposit date:2013-02-16
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
3X1U
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BU of 3x1u by Molmil
Crystal structure of nucleosome core particle in the presence of histone variants involved in reprogramming
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A, ...
Authors:Sivaraman, P, Kumarevel, T.S.
Deposit date:2014-11-28
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural and functional analyses of nucleosome complexes with mouse histone variants TH2a and TH2b, involved in reprogramming.
Biochem.Biophys.Res.Commun., 464, 2015
4JCI
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BU of 4jci by Molmil
Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), SPACE GROUP P212121, unliganded
Descriptor: Proline racemase, SODIUM ION
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-02-21
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), space group P212121, unliganded
To be Published
4NE6
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BU of 4ne6 by Molmil
Human MHF1-MHF2 complex
Descriptor: Centromere protein S, Centromere protein X
Authors:Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
Deposit date:2013-10-28
Release date:2013-12-25
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (2.1001 Å)
Cite:The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4NQZ
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BU of 4nqz by Molmil
Crystal Structure of the Pseudomonas aeruginosa Enoyl-Acyl Carrier Protein Reductase (FabI) in apo form
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Authors:Chi, Y.M, Lee, J.H, Park, A.K.
Deposit date:2013-11-26
Release date:2014-11-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Crystal Structures of Pseudomonas aeruginosa Enoyl-ACP Reductase (FabI) in the Presence and Absence of NAD+ and Triclosan
Bull.Korean Chem.Soc., 36, 2015
7P98
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BU of 7p98 by Molmil
Cyclohex-1-ene-1-carboxyl-CoA dehydrogenase in a substrate-free state
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Short-chain acyl-CoA dehydrogenase
Authors:Ermler, U, Weidenweber, S, Boll, M.
Deposit date:2021-07-26
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Cyclic 1,3-Diene Forming Acyl-Coenzyme A Dehydrogenases.
Chembiochem, 22, 2021
7P9X
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BU of 7p9x by Molmil
Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with cyclohex-1-ene-1-carboxyl-CoA
Descriptor: 1-monoenoyl-CoA, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Ermler, U, Weidenweber, S, Boll, M.
Deposit date:2021-07-28
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis of Cyclic 1,3-Diene Forming Acyl-Coenzyme A Dehydrogenases.
Chembiochem, 22, 2021
4JVV
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BU of 4jvv by Molmil
Crystal structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1, covalently bound with diisopropyl fluorophosphate (DFP), Northeast Structural Genomics Consortium (NESG) Target OR273
Descriptor: evolved variant of the computationally designed serine hydrolase
Authors:Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-03-26
Release date:2013-04-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
8B8E
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BU of 8b8e by Molmil
Wild-type GH11 from Blastobotrys mokoenaii
Descriptor: 1,2-ETHANEDIOL, BmGH11, DI(HYDROXYETHYL)ETHER, ...
Authors:Coleman, T, Ravn, J.L, Larsbrink, J.
Deposit date:2022-10-04
Release date:2023-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Yeasts Have Evolved Divergent Enzyme Strategies To Deconstruct and Metabolize Xylan.
Microbiol Spectr, 11, 2023
4JQJ
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BU of 4jqj by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinoline
Descriptor: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Boyce, S.E, Fischer, M, Fish, I.
Deposit date:2013-03-20
Release date:2013-07-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
7P9A
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BU of 7p9a by Molmil
Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with cyclohex-1,5-diene-1-carboxyl-CoA
Descriptor: 1,5 Dienoyl-CoA, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Ermler, U, Weidenweber, S, Boll, M.
Deposit date:2021-07-26
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis of Cyclic 1,3-Diene Forming Acyl-Coenzyme A Dehydrogenases.
Chembiochem, 22, 2021
4NE7
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BU of 4ne7 by Molmil
Crystal Structure of engineered Kumamolisin-As from Alicyclobacillus sendaiensis, Northeast Structural Genomics Consortium (NESG) Target OR367
Descriptor: Kumamolisin-As, ZINC ION
Authors:Guan, R, Pultz, I.S, Siegel, J.B, Seetharaman, J, Kornhaber, G, Maglaqui, M, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-10-28
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Northeast Structural Genomics Consortium Target OR367
To be Published
4JGK
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BU of 4jgk by Molmil
Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275
Descriptor: evolved variant of a designed serine hydrolase
Authors:Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-03-01
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.883 Å)
Cite:Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275
To be Published
4JUZ
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BU of 4juz by Molmil
Ternary complex of gamma-OHPDG adduct modified dna (zero primer) with dna polymerase iv and incoming dgtp
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), ...
Authors:Banerjee, S, Shanmugam, G, Stone, M.P.
Deposit date:2013-03-25
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
4JEL
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BU of 4jel by Molmil
Structure of MilB Streptomyces rimofaciens CMP N-glycosidase
Descriptor: CMP/hydroxymethyl CMP hydrolase, SULFATE ION
Authors:Sikowitz, M.D, Cooper, L.E, Begley, T.P, Kaminski, P.A, Ealick, S.E.
Deposit date:2013-02-27
Release date:2013-09-11
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Reversal of the substrate specificity of CMP N-glycosidase to dCMP.
Biochemistry, 52, 2013
4NG9
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BU of 4ng9 by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-11-01
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4JLO
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BU of 4jlo by Molmil
Crystal structure of Aquifex adenylate kinase R150K mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Phung, L, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JM5
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BU of 4jm5 by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-Amino-5-methylthiazole
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, ...
Authors:Boyce, S.E, Fischer, M, Fish, I, Shoichet, B.K.
Deposit date:2013-03-13
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JNV
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BU of 4jnv by Molmil
Crystal structure of the human Nup57CCS3* coiled-coil segment, space group C2
Descriptor: Nucleoporin p54
Authors:Stuwe, T, Bley, C.J, Mayo, D.J, Hoelz, A.
Deposit date:2013-03-15
Release date:2014-09-17
Last modified:2016-02-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
3X1S
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BU of 3x1s by Molmil
Crystal structure of the nucleosome core particle
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Sivaraman, P, Kumarevel, T.S.
Deposit date:2014-11-27
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Structural and functional analyses of nucleosome complexes with mouse histone variants TH2a and TH2b, involved in reprogramming
Biochem.Biophys.Res.Commun., 464, 2015
4J9Q
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BU of 4j9q by Molmil
Human DNA polymerase eta-DNA postinsertion binary complex with TG mispair
Descriptor: DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*TP*G)-3'), DNA (5'-D(*TP*C*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ...
Authors:Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
Deposit date:2013-02-16
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
4L1E
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BU of 4l1e by Molmil
Crystal structure of C-Phycocyanin from Leptolyngbya sp. N62DM
Descriptor: BILIVERDINE IX ALPHA, PHYCOCYANOBILIN, Phycocyanin alpha chain, ...
Authors:Singh, N.K, Raj, I, Gourinath, S, Madamwar, D.
Deposit date:2013-06-03
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal Structure and Interaction of Phycocyanin with beta-Secretase: A Putative Therapy for Alzheimer's Disease.
CNS Neurol Disord Drug Targets, 13, 2014

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数据于2024-09-25公开中

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