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6WY9
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Tcur3481-Tcur3483 steroid ACAD G363A variant
分子名称: Acyl-CoA dehydrogenase domain protein Tcur3481, Acyl-CoA dehydrogenase domain protein Tcur3483, CHLORIDE ION, ...
著者Kimber, M.S, Stirling, A.J, Seah, S.Y.K.
登録日2020-05-12
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Key Glycine in Bacterial Steroid-Degrading Acyl-CoA Dehydrogenases Allows Flavin-Ring Repositioning and Modulates Substrate Side Chain Specificity.
Biochemistry, 59, 2020
6OJC
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BU of 6ojc by Molmil
A high-resolution crystal structure of NocB thioesterase domain from Nocardicin cluster
分子名称: GLYCEROL, NocB, SULFATE ION
著者Patel, K.D, Gulick, A.M.
登録日2019-04-11
公開日2019-09-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure of a bound peptide phosphonate reveals the mechanism of nocardicin bifunctional thioesterase epimerase-hydrolase half-reactions.
Nat Commun, 10, 2019
6OJD
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A high-resolution crystal structure of covalent complex of NocB thioesterase domain with fluorophosphonate nocardicin G analog
分子名称: (R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid, CALCIUM ION, GLYCEROL, ...
著者Patel, K.D, Gulick, A.M.
登録日2019-04-11
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of a bound peptide phosphonate reveals the mechanism of nocardicin bifunctional thioesterase epimerase-hydrolase half-reactions.
Nat Commun, 10, 2019
8Q52
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A PBP-like protein built from fragments of different folds
分子名称: Leucine-specific-binding protein,Chemotaxis protein CheY, SULFATE ION
著者Shanmugaratnam, S, Toledo-Patino, S, Goetz, S.K, Farias-Rico, J.A, Hocker, B.
登録日2023-08-08
公開日2024-04-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular handcraft of a well-folded protein chimera.
Febs Lett., 598, 2024
6WY8
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BU of 6wy8 by Molmil
Tcur3481-Tcur3483 steroid ACAD
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acyl-CoA dehydrogenase domain protein Tcur3481, Acyl-CoA dehydrogenase domain protein Tcur3483, ...
著者Kimber, M.S, Stirling, A.J, Seah, S.Y.K.
登録日2020-05-12
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Key Glycine in Bacterial Steroid-Degrading Acyl-CoA Dehydrogenases Allows Flavin-Ring Repositioning and Modulates Substrate Side Chain Specificity.
Biochemistry, 59, 2020
6FEA
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BU of 6fea by Molmil
A. vinelandii vanadium nitrogenase, turnover state
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CARBONATE ION, FE(8)-S(7) CLUSTER, ...
著者Sippel, D, Einsle, O.
登録日2017-12-31
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A bound reaction intermediate sheds light on the mechanism of nitrogenase.
Science, 359, 2018
5MZ3
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BU of 5mz3 by Molmil
P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide]
分子名称: Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
著者Cowan-Jacob, S.W, Scheufler, C.
登録日2017-01-30
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6FLY
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BU of 6fly by Molmil
Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with mannose.
分子名称: Jacalin-like lectin, alpha-D-mannopyranose
著者Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P.
登録日2018-01-29
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
6FU1
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BU of 6fu1 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate
分子名称: GLYCEROL, Histone deacetylase, POTASSIUM ION, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-02-26
公開日2019-03-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing.
Molecules, 23, 2018
6CXN
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BU of 6cxn by Molmil
HRFLRH peptide NMR structure
分子名称: Hexapeptide HRFLRH
著者Pires, D.A.T, Arake, L.M.R, Silva, L.P, Lopez-Castillo, A, Prates, M.V, Nascimento, C.J, Bloch Jr, C.
登録日2018-04-03
公開日2018-07-04
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献A previously undescribed hexapeptide His-Arg-Phe-Leu-Arg-His-NH2from amphibian skin secretion shows CO2and metal biding affinities.
Peptides, 106, 2018
6CXQ
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HRFLRH peptide NMR structure in the presence of CO2
分子名称: Hexapeptide HRFLRH
著者Pires, D.A.T, Arake, L.M.R, Silva, L.P, Lopez-Castillo, A, Prates, M.V, Nascimento, C.J, Bloch Jr, C.
登録日2018-04-03
公開日2018-07-04
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献A previously undescribed hexapeptide His-Arg-Phe-Leu-Arg-His-NH2from amphibian skin secretion shows CO2and metal biding affinities.
Peptides, 106, 2018
6CXP
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BU of 6cxp by Molmil
HRFLRH peptide NMR structure in the presence of Cd(II)
分子名称: Hexapeptide HRFLRH
著者Pires, D.A.T, Arake, L.M.R, Silva, L.P, Lopez-Castillo, A, Prates, M.V, Nascimento, C.J, Bloch Jr, C.
登録日2018-04-03
公開日2018-07-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A previously undescribed hexapeptide His-Arg-Phe-Leu-Arg-His-NH2from amphibian skin secretion shows CO2and metal biding affinities.
Peptides, 106, 2018
6CXR
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BU of 6cxr by Molmil
HRFLRH peptide NMR structure in the presence of Zn(II)
分子名称: Hexapeptide HRFLRH
著者Pires, D.A.T, Arake, L.M.R, Silva, L.P, Lopez-Castillo, A, Prates, M.V, Nascimento, C.J, Bloch Jr, C.
登録日2018-04-03
公開日2018-07-04
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献A previously undescribed hexapeptide His-Arg-Phe-Leu-Arg-His-NH2from amphibian skin secretion shows CO2and metal biding affinities.
Peptides, 106, 2018
6VLK
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BU of 6vlk by Molmil
A varicella-zoster virus glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, ...
著者Xing, Y.
登録日2020-01-24
公開日2020-07-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4529 Å)
主引用文献A glycoprotein B-neutralizing antibody structure at 2.8 angstrom uncovers a critical domain for herpesvirus fusion initiation.
Nat Commun, 11, 2020
6CHX
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BU of 6chx by Molmil
High Resolution Crystal Structure of the Hemagglutinin H1 Head Domain of Influenza A virus Solomon Islands
分子名称: Hemagglutinin
著者Dong, J, Sevy, A.M, Crowe, J.E.
登録日2018-02-23
公開日2019-02-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High Resolution Crystal Structure of the Hemagglutinin H1 Head Domain of Influenza A virus Solomon Islands
To Be Published
8R9U
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BU of 8r9u by Molmil
A soakable crystal form of human CDK7 in complex with AMP-PNP
分子名称: 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile, Cyclin-dependent kinase 7
著者Mukherjee, M, Cleasby, A.
登録日2023-11-30
公開日2024-05-29
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.937 Å)
主引用文献Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
8R9O
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BU of 8r9o by Molmil
A soakable crystal form of human CDK7 in complex with AMP-PNP
分子名称: Cyclin-dependent kinase 7, ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
著者Mukherjee, M, Cleasby, A.
登録日2023-11-30
公開日2024-05-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
6Z68
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BU of 6z68 by Molmil
A novel metagenomic alpha/beta-fold esterase
分子名称: Acetyl esterase/lipase, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J.
登録日2020-05-28
公開日2020-12-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structures of a novel family IV esterase in free and substrate-bound form.
Febs J., 288, 2021
6HRP
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BU of 6hrp by Molmil
CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-3,4-dihydroisoquinolin-1-one
分子名称: 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one, Tyrosine-protein kinase BTK
著者Janson, C, Kuglstatter, A.
登録日2018-09-28
公開日2019-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation.
Bioorg.Med.Chem.Lett., 29, 2019
5O33
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BU of 5o33 by Molmil
A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Kalirin, ...
著者Gray, J, Krojer, T, Talon, R, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P, von Delft, F.
登録日2017-05-23
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1
To Be Published
6HRT
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BU of 6hrt by Molmil
CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 12-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-9-hydroxy-6-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,11,13-pentaen-5-one
分子名称: (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Janson, C.
登録日2018-09-28
公開日2019-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation.
Bioorg.Med.Chem.Lett., 29, 2019
8U72
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BU of 8u72 by Molmil
Cryo-EM structure of the SPARTA oligomer with guide RNA and target DNA
分子名称: DNA (5'-D(P*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*C)-3'), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Malik, R, Kottur, J, Aggarwal, A.K.
登録日2023-09-14
公開日2024-06-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Nucleic acid mediated activation of a short prokaryotic Argonaute immune system.
Nat Commun, 15, 2024
3MNN
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BU of 3mnn by Molmil
A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core
分子名称: 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane, 1-methyl-4-(1-methylethyl)benzene, DNA (145-MER), ...
著者Ong, M.S, Davey, C.A.
登録日2010-04-22
公開日2011-04-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A ruthenium antimetastasis agent forms specific histone protein adducts in the nucleosome core
Chemistry, 17, 2011
6S7N
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BU of 6s7n by Molmil
Crystal structure of orthorhombic lysozyme grown at pH 5.5 with a 26% of solvent content
分子名称: Lysozyme C, SULFATE ION
著者Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
登録日2019-07-05
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Major conformational changes in the structure of lysozyme obtained from a crystal with a very low solvent content.
Acta Crystallogr.,Sect.F, 75, 2019
6FPV
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BU of 6fpv by Molmil
A llama-derived JBP1-targeting nanobody
分子名称: GLYCEROL, Nanobody
著者van Beusekom, B, Adamopoulos, A, Heidebrecht, T, Joosten, R.P, Perrakis, A.
登録日2018-02-12
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Characterization and structure determination of a llama-derived nanobody targeting the J-base binding protein 1.
Acta Crystallogr F Struct Biol Commun, 74, 2018

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