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8Z50
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BU of 8z50 by Molmil
Crystal structure of the ASF1-H3T-H4 complex
分子名称: Histone H3.1t, Histone H4, Histone chaperone ASF1A
著者Xu, L.
登録日2024-04-18
公開日2024-07-03
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into instability of the nucleosome driven by histone variant H3T.
Biochem.Biophys.Res.Commun., 727, 2024
4DOK
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BU of 4dok by Molmil
Crystal structure of Arabidopsis thaliana chalcone-isomerase like protein At5g05270 (AtCHIL)
分子名称: ACETATE ION, CALCIUM ION, Similarity to chalcone-flavonone isomerase
著者Noel, J.P, Louie, G.V, Bowman, M.E.
登録日2012-02-09
公開日2012-05-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolution of the chalcone-isomerase fold from fatty-acid binding to stereospecific catalysis.
Nature, 485, 2012
6OTZ
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BU of 6otz by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and (+)FTC-TP
分子名称: DNA Primer 20-mer, DNA template 27-mer, GLYCEROL, ...
著者Bertoletti, N, Anderson, K.S.
登録日2019-05-03
公開日2019-07-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.857 Å)
主引用文献Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
5WHR
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BU of 5whr by Molmil
Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate.
分子名称: (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A.
登録日2017-07-18
公開日2017-12-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.
J. Med. Chem., 60, 2017
5TKC
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BU of 5tkc by Molmil
Crystal structure of FBP aldolase from Toxoplasma gondii, ternary complex
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ...
著者Heron, P.W, Sygusch, J.
登録日2016-10-06
公開日2017-10-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献Isomer activation controls stereospecificity of class I fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 292, 2017
7Q4O
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BU of 7q4o by Molmil
Substrate-bound A-like U2 snRNP
分子名称: BPS oligo, PHD finger-like domain-containing protein 5A, Splicing factor 3A subunit 2, ...
著者Tholen, J, Galej, W.P.
登録日2021-11-01
公開日2022-03-30
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Structural basis of branch site recognition by the human spliceosome.
Science, 375, 2022
7Q3L
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BU of 7q3l by Molmil
Human 17S U2 snRNP 5' domain
分子名称: HIV Tat-specific factor 1, PHD finger-like domain-containing protein 5A, Probable ATP-dependent RNA helicase DDX46, ...
著者Tholen, J, Galej, W.P.
登録日2021-10-28
公開日2022-03-30
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.21 Å)
主引用文献Structural basis of branch site recognition by the human spliceosome.
Science, 375, 2022
7Q4P
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BU of 7q4p by Molmil
U2 snRNP after ATP-dependent remodelling
分子名称: PHD finger-like domain-containing protein 5A, Splicing factor 3A subunit 2, Splicing factor 3A subunit 3, ...
著者Tholen, J, Galej, W.P.
登録日2021-11-01
公開日2022-03-30
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.15 Å)
主引用文献Structural basis of branch site recognition by the human spliceosome.
Science, 375, 2022
5TJD
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BU of 5tjd by Molmil
Computer-based rational design of improved functionality for antibody catalysts toward organophosphorus compounds
分子名称: FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light Chain
著者Chatziefthimiou, S, Stepanova, A, Smirnov, I, Gabibov, A, Wilmanns, M.
登録日2016-10-04
公開日2018-05-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 2020
3T6Y
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BU of 3t6y by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
分子名称: 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
著者Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
登録日2011-07-29
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
2HMJ
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BU of 2hmj by Molmil
Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant.
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
5WUW
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BU of 5wuw by Molmil
Serratia marcescens short-chain dehydrogenase/reductase F98L/F202L mutant
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase
著者Liu, J.-S, Tsou, Y, Wang, W.-C.
登録日2016-12-21
公開日2018-02-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided design of Serratia marcescens short-chain dehydrogenase/reductase for stereoselective synthesis of (R)-phenylephrine.
Sci Rep, 8, 2018
6P1I
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BU of 6p1i by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA Primer 20-mer, DNA template 27-mer, ...
著者Bertoletti, N, Anderson, K.S.
登録日2019-05-19
公開日2019-07-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
6P1X
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BU of 6p1x by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and L-ddCTP
分子名称: DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ...
著者Bertoletti, N, Anderson, K.S.
登録日2019-05-20
公開日2019-07-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.553 Å)
主引用文献Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
2HMM
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BU of 2hmm by Molmil
Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Anthracene
分子名称: 1,2-ETHANEDIOL, ANTHRACENE, FE (III) ION, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
2HML
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BU of 2hml by Molmil
Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Phenanthrene.
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
2HMO
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BU of 2hmo by Molmil
Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to 3-Nitrotoluene.
分子名称: 1,2-ETHANEDIOL, 3-NITROTOLUENE, FE (III) ION, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
2HMN
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BU of 2hmn by Molmil
Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Anthracene.
分子名称: 1,2-ETHANEDIOL, ANTHRACENE, FE (III) ION, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
6UXV
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BU of 6uxv by Molmil
SWI/SNF Body Module
分子名称: SWI/SNF chromatin-remodeling complex subunit SNF5, SWI/SNF chromatin-remodeling complex subunit SWI1, SWI/SNF complex subunit SWI3, ...
著者He, Y, Han, Y.
登録日2019-11-08
公開日2020-03-18
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Cryo-EM structure of SWI/SNF complex bound to a nucleosome.
Nature, 579, 2020
5TKL
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BU of 5tkl by Molmil
Crystal structure of FBP aldolase from Toxoplasma gondii, condensation intermediate
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, 1,6-di-O-phosphono-D-fructose, Fructose-bisphosphate aldolase, ...
著者Heron, P.W, Sygusch, J.
登録日2016-10-06
公開日2017-10-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Isomer activation controls stereospecificity of class I fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 292, 2017
2HMK
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BU of 2hmk by Molmil
Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Phenanthrene
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
4GH5
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BU of 4gh5 by Molmil
Crystal structure of S-2-hydroxypropyl coenzyme M dehydrogenase (S-HPCDH)
分子名称: ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Short-chain dehydrogenase/reductase SDR
著者Bakelar, J.W, Johnson, S.J.
登録日2012-08-07
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of S-HPCDH reveal determinants of stereospecificity for R- and S-hydroxypropyl-coenzyme M dehydrogenases.
Arch.Biochem.Biophys., 533, 2013
2H5D
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BU of 2h5d by Molmil
0.9A resolution crystal structure of alpha-lytic protease complexed with a transition state analogue, MeOSuc-Ala-Ala-Pro-Val boronic acid
分子名称: ALPHA-LYTIC PROTEASE, GLYCEROL, MEOSUC-ALA-ALA-PRO-ALA BORONIC ACID INHIBITOR, ...
著者Fuhrmann, C.N, Agard, D.A.
登録日2006-05-25
公開日2006-09-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis
J.Am.Chem.Soc., 128, 2006
6X7O
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BU of 6x7o by Molmil
LnmK in complex with 2-sulfonate-propionyl-CoA
分子名称: (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, ...
著者Stunkard, L.M, Kick, B.J, Lohman, J.R.
登録日2020-05-30
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
6X7N
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LnmK in complex with 2-nitronate-propionyl-amino(dethia)-CoA
分子名称: Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, SULFATE ION, [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
著者Stunkard, L.M, Kick, B.J, Lohman, J.R.
登録日2020-05-30
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021

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