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6TNN
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BU of 6tnn by Molmil
Mini-RNase III (Mini-III) bound to 50S ribosome with precursor 23S rRNA
分子名称: 50S ribosomal protein L10, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Oerum, S, Dendooven, T, Gilet, L, Catala, M, Degut, C, Trinquier, A, Barraud, P, Luisi, B, Condon, C, Tisne, C.
登録日2019-12-09
公開日2020-09-30
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Structures of B. subtilis Maturation RNases Captured on 50S Ribosome with Pre-rRNAs.
Mol.Cell, 80, 2020
5DQ4
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BU of 5dq4 by Molmil
Endothiapepsin in complex with fragment 66
分子名称: 1-[6-(furan-2-yl)pyridin-3-yl]methanamine, Endothiapepsin, GLYCEROL
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-09-14
公開日2016-09-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
to be published
3LIY
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BU of 3liy by Molmil
crystal structure of HTLV protease complexed with Statine-containing peptide inhibitor
分子名称: DI(HYDROXYETHYL)ETHER, Protease, statine-containing inhibitor
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
5DR0
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BU of 5dr0 by Molmil
Endothiapepsin in complex with fragment 203
分子名称: 1,2-ETHANEDIOL, 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine, ACETATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-09-15
公開日2016-09-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y8D
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BU of 4y8d by Molmil
Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor
分子名称: 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-02-16
公開日2015-04-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents.
J.Med.Chem., 58, 2015
5UGF
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BU of 5ugf by Molmil
Crystal structure of human purine nucleoside phosphorylase (F159Y) mutant complexed with DADMe-ImmG and phosphate
分子名称: 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Harijan, R.K, Cameron, S.A, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-01-08
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Catalytic-site design for inverse heavy-enzyme isotope effects in human purine nucleoside phosphorylase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5ECU
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BU of 5ecu by Molmil
The unliganded structure of Caldicellulosiruptor saccharolyticus GH5
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Alahuhta, P.M, Lunin, V.V.
登録日2015-10-20
公開日2016-11-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure of Caldicellulosiruptor saccharolyticus GH5
To Be Published
4YD4
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BU of 4yd4 by Molmil
Endothiapepsin in complex with fragment 227
分子名称: 1,2-ETHANEDIOL, 4-(bromomethyl)benzoic acid, BROMIDE ION, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4YEK
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BU of 4yek by Molmil
X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with thymidine
分子名称: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
著者Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
登録日2015-02-24
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
8K3J
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BU of 8k3j by Molmil
Structure of human CNTN2 immunoglobulin domains 1-6 homo-dimer
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, Contactin-2, ...
著者Zhang, Z.Z.
登録日2023-07-16
公開日2024-07-17
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of human CNTN2 immunoglobulin domains 1-6 homo-dimer
To Be Published
5DNI
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BU of 5dni by Molmil
Crystal structure of Methanocaldococcus jannaschii Fumarate hydratase beta subunit
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Jayaraman, V, Kunala, J, Balaram, H.
登録日2015-09-10
公開日2016-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Revisiting the Burden Borne by Fumarase: Enzymatic Hydration of an Olefin.
Biochemistry, 62, 2023
5TYN
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BU of 5tyn by Molmil
alpha-esterase-7 in complex with [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
分子名称: Carboxylic ester hydrolase, [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
著者Correy, G.J, Jackson, C.J.
登録日2016-11-21
公開日2017-12-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.531 Å)
主引用文献Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
7TR7
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BU of 7tr7 by Molmil
APE1 product complex with abasic ssDNA
分子名称: DNA (5'-D(P*(3DR)P*CP*GP*AP*TP*GP*C)-3'), DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION
著者Freudenthal, B.D, Hoitsma, N.M.
登録日2022-01-28
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic insight into AP-endonuclease 1 cleavage of abasic sites at stalled replication fork mimics.
Nucleic Acids Res., 51, 2023
6KX8
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BU of 6kx8 by Molmil
Crystal structure of mouse Cryptochrome 2 in complex with TH301 compound
分子名称: 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-2
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
3DZ2
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BU of 3dz2 by Molmil
Human AdoMetDC with 5'-[(3-aminopropyl)methylamino]-5'deoxy-8-methyladenosine
分子名称: 1,4-DIAMINOBUTANE, 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ...
著者Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E.
登録日2008-07-29
公開日2009-03-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
3DLZ
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BU of 3dlz by Molmil
Crystal structure of human haspin in complex with AMP
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Murray, J.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-06-30
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and functional characterization of the atypical human kinase haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
6EV7
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BU of 6ev7 by Molmil
Structure of E282D A. niger Fdc1 with prFMN in the iminium form
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, Leys, D, Payne, K.A.P.
登録日2017-11-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6ZKF
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BU of 6zkf by Molmil
Complex I during turnover, open3
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-14
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6L4V
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BU of 6l4v by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
分子名称: 1,2-ETHANEDIOL, Asparaginyl endopeptidase, DI(HYDROXYETHYL)ETHER
著者El Sahili, A, Lescar, J.
登録日2019-10-21
公開日2020-10-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020
5XUQ
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BU of 5xuq by Molmil
Crystal structure of VDR-LBD complexed with an antagonist, 2-methylidene-19,26,27-trinor-22-(S)-butyl-1-hydroxy-25-oxo-25-(1H-pyrrol-2-yl)- vitamin D3
分子名称: (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
著者Kato, A, Itoh, T, Yamamoto, K.
登録日2017-06-24
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Potent Vitamin D Receptor Antagonist
To Be Published
8HWS
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BU of 8hws by Molmil
The complex structure of Omicron BA.4 RBD with BD604, S309, and S304
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab Heavy chain, BD-604 Fab Light chain, ...
著者He, Q.W, Xu, Z.P, Xie, Y.F.
登録日2023-01-02
公開日2023-12-06
最終更新日2025-07-16
実験手法ELECTRON MICROSCOPY (2.36 Å)
主引用文献An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
5AAE
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BU of 5aae by Molmil
Aurora A kinase bound to an imidazopyridine inhibitor (14d)
分子名称: 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole, AURORA KINASE A
著者McIntyre, P.J, Bayliss, R.
登録日2015-07-24
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
6B8O
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BU of 6b8o by Molmil
WT Ig-like V Domain with Phosphatidylserine
分子名称: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sudom, A, Wang, Z.
登録日2017-10-09
公開日2018-06-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
9FQ8
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BU of 9fq8 by Molmil
Perkinsus marinus Respiratory complex CIV
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ...
著者Wu, F, Amunts, A.
登録日2024-06-14
公開日2025-06-25
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Perkinsus marinus Respiratory complex CIV
To Be Published
6BFG
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BU of 6bfg by Molmil
Crystal structure of monotopic membrane protein (S)-mandelate dehydrogenase
分子名称: (S)-mandelate dehydrogenase, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者Sukumar, N.
登録日2017-10-26
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the monotopic membrane protein (S)-mandelate dehydrogenase at 2.2 angstrom resolution.
Biochimie, 154, 2018

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