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7UBO
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BU of 7ubo by Molmil
Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor CCD-956
分子名称: Bromodomain testis-specific protein, DIMETHYL SULFOXIDE, N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide
著者Ta, H.M, Modukuri, R.K, Yu, Z, Tan, Z, Matzuk, M.M, Kim, C.
登録日2022-03-15
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of potent BET bromodomain 1 stereoselective inhibitors using DNA-encoded chemical library selections.
Proc.Natl.Acad.Sci.USA, 119, 2022
6SWA
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BU of 6swa by Molmil
Mus musculus brain neocortex ribosome 60S bound to Ebp1
分子名称: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
著者Kraushar, M.L, Sprink, T.
登録日2019-09-20
公開日2020-09-30
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Protein Synthesis in the Developing Neocortex at Near-Atomic Resolution Reveals Ebp1-Mediated Neuronal Proteostasis at the 60S Tunnel Exit.
Mol.Cell, 81, 2021
3W35
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BU of 3w35 by Molmil
Crystal structure of apo-type bacterial Vanadium-dependent chloroperoxidase
分子名称: NapH1
著者Liscombe, D.K, Miyanaga, A, Fielding, E, Bernhardt, P, Li, A, Winter, J.M, Gilson, M.K, Noel, J.P, Moore, B.S.
登録日2012-12-11
公開日2013-12-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis.
Biochemistry, 2022
5CTT
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BU of 5ctt by Molmil
Crystal structure of human SART3/TIP110 NLS-mouse importin alpha complex
分子名称: Importin subunit alpha-1, Squamous cell carcinoma antigen recognized by T-cells 3
著者Park, J.K, Kim, E.E.
登録日2015-07-24
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for recruiting and shuttling of the spliceosomal deubiquitinase USP4 by SART3
Nucleic Acids Res., 44, 2016
5CTQ
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BU of 5ctq by Molmil
Crystal structure of human SART3/TIP110 half-a TPR (HAT) domain
分子名称: Squamous cell carcinoma antigen recognized by T-cells 3
著者Park, J.K, Kim, E.E.
登録日2015-07-24
公開日2016-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for recruiting and shuttling of the spliceosomal deubiquitinase USP4 by SART3
Nucleic Acids Res., 44, 2016
5CTR
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BU of 5ctr by Molmil
Crystal structure of human SART3 HAT-C domain-human USP4 DUSP-UBL domain complex
分子名称: Squamous cell carcinoma antigen recognized by T-cells 3, Ubiquitin carboxyl-terminal hydrolase 4
著者Park, J.K, Kim, E.E.
登録日2015-07-24
公開日2016-04-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.012 Å)
主引用文献Structural basis for recruiting and shuttling of the spliceosomal deubiquitinase USP4 by SART3
Nucleic Acids Res., 44, 2016
3W36
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BU of 3w36 by Molmil
Crystal structure of holo-type bacterial Vanadium-dependent chloroperoxidase
分子名称: NapH1, VANADATE ION
著者Liscombe, D.K, Miyanaga, A, Fielding, E, Bernhardt, P, Li, A, Winter, J.M, Gilson, M.K, Noel, J.P, Moore, B.S.
登録日2012-12-11
公開日2013-12-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis.
Biochemistry, 2022
4RF4
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BU of 4rf4 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir
分子名称: MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
3PJN
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BU of 3pjn by Molmil
The crystal structure of Tp34 bound to Zn(II) ion at pH 7.5
分子名称: 1,2-ETHANEDIOL, 34 kDa membrane antigen, SULFATE ION, ...
著者Brautigam, C.A, Deka, R.K, Tomchick, D.R, Machius, M, Norgard, M.V.
登録日2010-11-10
公開日2011-11-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characterization of the Tp34 lipoprotein from Treponema pallidum suggests a role in transition metal homeostasis
To be Published
4DIF
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BU of 4dif by Molmil
Structure of A1-type ketoreductase
分子名称: AmphB, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, J, Keatinge-Clay, A.T.
登録日2012-01-30
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.521 Å)
主引用文献Structure and mutagenesis of A2-type ketoreductase from modular polyketide synthase reveals insights into stereospecificity
To be Published
1R7I
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BU of 1r7i by Molmil
HMG-CoA Reductase from P. mevalonii, native structure at 2.2 angstroms resolution.
分子名称: 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, SULFATE ION
著者Watson, J.M, Steussy, C.N, Burgner, J.W, Lawrence, C.M, Tabernero, L, Rodwell, V.W, Stauffacher, C.V.
登録日2003-10-21
公開日2003-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural Investigations of the Basis for Stereoselectivity from the Binary Complex of HMG-COA Reductase.
To be Published
4FHD
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BU of 4fhd by Molmil
Spore photoproduct lyase complexed with dinucleoside spore photoproduct
分子名称: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione, IRON/SULFUR CLUSTER, PYROPHOSPHATE 2-, ...
著者Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I.
登録日2012-06-06
公開日2012-07-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme.
Nucleic Acids Res., 40, 2012
1R31
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BU of 1r31 by Molmil
HMG-CoA reductase from Pseudomonas mevalonii complexed with HMG-CoA
分子名称: (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, COENZYME A, ...
著者Watson, J.M, Steussy, C.N, Burgner, J.W, Lawrence, C.M, Tabernero, L, Rodwell, V.W, Stauffacher, C.V.
登録日2003-09-30
公開日2003-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Investigations of the Basis for Stereoselectivity from the Binary Complex of HMG-CoA Reductase.
To be Published
4RF3
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BU of 4rf3 by Molmil
Crystal Structure of ketoreductase from Lactobacillus kefir, mutant A94F
分子名称: GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
8OOV
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BU of 8oov by Molmil
human NME-1 in complex with CoA
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A
著者Gouge, J, Hristov, H.D.
登録日2023-04-06
公開日2023-06-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Unique Mode of Coenzyme A Binding to the Nucleotide Binding Pocket of Human Metastasis Suppressor NME1.
Int J Mol Sci, 24, 2023
4FHF
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BU of 4fhf by Molmil
Spore photoproduct lyase C140A mutant with dinucleoside spore photoproduct
分子名称: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione, IRON/SULFUR CLUSTER, PYROPHOSPHATE 2-, ...
著者Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I.
登録日2012-06-06
公開日2012-07-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme.
Nucleic Acids Res., 40, 2012
7Z24
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BU of 7z24 by Molmil
Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (38-mer), Reverse transcriptase/ribonuclease H
著者Singh, A.K, Das, K.
登録日2022-02-25
公開日2022-07-20
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z29
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BU of 7z29 by Molmil
Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer in complex with nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (38-MER), Reverse transcriptase/ribonuclease H, ...
著者Singh, A.K, Das, K.
登録日2022-02-26
公開日2022-07-20
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
4RXQ
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BU of 4rxq by Molmil
The structure of GTP-dUTP-bound SAMHD1
分子名称: DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F.
登録日2014-12-11
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
4RF5
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BU of 4rf5 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir, E145S mutant
分子名称: GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.596 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RXR
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BU of 4rxr by Molmil
The structure of GTP-dCTP-bound SAMHD1
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F.
登録日2014-12-11
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
4RZ9
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BU of 4rz9 by Molmil
Pre-mRNA-splicing factor 38A AS 1-179
分子名称: Pre-mRNA-splicing factor 38A
著者Schuetze, T, Weber, G, Wahl, M.C.
登録日2014-12-19
公開日2015-12-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献The N-terminal domain of the unusual SR protein hPrp38 is an interaction hub in the spliceosome
To be Published
4TU5
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BU of 4tu5 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1062)
分子名称: 6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Reeve, S.M, Anderson, A.C.
登録日2014-06-23
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.161 Å)
主引用文献Nonracemic Antifolates Stereoselectively Recruit Alternate Cofactors and Overcome Resistance in S. aureus.
J.Am.Chem.Soc., 137, 2015
1BTO
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BU of 1bto by Molmil
HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3R)3-BUTYLTHIOLANE 1-OXIDE
分子名称: 3-BUTYLTHIOLANE 1-OXIDE, LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Ramaswamy, S, Plapp, B.V.
登録日1996-11-08
公開日1997-04-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flexibility of liver alcohol dehydrogenase in stereoselective binding of 3-butylthiolane 1-oxides.
Biochemistry, 36, 1997
4RF2
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BU of 4rf2 by Molmil
Crystal structure of NADP+ bound ketoreductase from Lactobacillus kefir
分子名称: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015

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