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3HO8
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BU of 3ho8 by Molmil
Crystal Structure of S. aureus Pyruvate Carboxylase in complex with Coenzyme A
分子名称: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, MANGANESE (II) ION, ...
著者Tong, L, Yu, L.P.C.
登録日2009-06-01
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Symmetrical Tetramer for S. aureus Pyruvate Carboxylase in Complex with Coenzyme A.
Structure, 17, 2009
7RLF
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BU of 7rlf by Molmil
Cryo-EM structure of human p97-E470D mutant bound to ATPgS.
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S.
登録日2021-07-23
公開日2021-09-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
2ZNQ
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BU of 2znq by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP401
分子名称: (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
著者Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K.
登録日2008-04-30
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
7RLD
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BU of 7rld by Molmil
Cryo-EM structure of human p97-E470D mutant bound to ADP.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S.
登録日2021-07-23
公開日2021-09-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
8R42
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BU of 8r42 by Molmil
Structure of CHI3L1 in complex with inhibititor 2
分子名称: 1,2-ETHANEDIOL, 2-[4-[(2~{R})-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]pyridine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M.
登録日2023-11-10
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1.
J.Med.Chem., 67, 2024
7LA5
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BU of 7la5 by Molmil
Structure of human GGT1 in complex with Lnt1-172 compound.
分子名称: (2R)-4-borono-2-{[(1H-imidazol-4-yl)methyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Terzyan, S.S, Hanigan, M, Nguen, L.
登録日2021-01-05
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure of human GGT1 in complex with Lnt1-172 compound.
To Be Published
7RLI
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BU of 7rli by Molmil
Cryo-EM structure of human p97 bound to CB-5083 and ADP.
分子名称: 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S.
登録日2021-07-23
公開日2021-09-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
5MFP
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BU of 5mfp by Molmil
Human Sirt6 in complex with activator UBCS58
分子名称: 1,2-ETHANEDIOL, 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline, NAD-dependent protein deacetylase sirtuin-6, ...
著者Steegborn, C, You, W, Kambach, C.
登録日2016-11-18
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
7LBK
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BU of 7lbk by Molmil
Crystal structure of human Survivin bound to histone H3 T3phK4me3 peptide
分子名称: Baculoviral IAP repeat-containing protein 5, ZINC ION, histone H3 T3phK4me3 peptide
著者Niedzialkowska, E, Minor, W, Stukenberg, P.T.
登録日2021-01-08
公開日2022-01-12
最終更新日2022-08-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Tip60 acetylation of histone H3K4 temporally controls chromosome passenger complex localization.
Mol.Biol.Cell, 33, 2022
7BPL
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BU of 7bpl by Molmil
Solution NMR structure of NF1; de novo designed protein with a novel fold
分子名称: NF1
著者Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N.
登録日2020-03-23
公開日2021-03-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
5MOW
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BU of 5mow by Molmil
Crystal Structure of CK2alpha with ZT0432 bound
分子名称: 5-bromopyridine-2,3-diamine, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-14
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
3I60
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BU of 3i60 by Molmil
Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
分子名称: 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Jacobs, M.D, Xie, X.
登録日2009-07-06
公開日2010-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3HS5
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BU of 3hs5 by Molmil
X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of cyclooxygenase-2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vecchio, A.J, Simmons, D.M, Malkowski, M.G.
登録日2009-06-10
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of fatty acid substrate binding to cyclooxygenase-2.
J.Biol.Chem., 285, 2010
5MG5
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BU of 5mg5 by Molmil
A multi-component acyltransferase PhlABC from Pseudomonas protegens soaked with the monoacetylphloroglucinol (MAPG)
分子名称: 2,4-diacetylphloroglucinol biosynthesis protein, 2,4-diacetylphloroglucinol biosynthesis protein PhlC, Hydroxymethylglutaryl-CoA synthase, ...
著者Pavkov-Keller, T, Schmidt, N.G, Kroutil, W, Gruber, K.
登録日2016-11-20
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.44 Å)
主引用文献Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase.
Chembiochem, 20, 2019
8RQB
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BU of 8rqb by Molmil
Cryo-EM structure of mouse heavy-chain apoferritin
分子名称: FE (III) ION, Ferritin heavy chain, N-terminally processed, ...
著者Nazarov, S, Myasnikov, A, Stahlberg, H.
登録日2024-01-17
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (1.09 Å)
主引用文献Cryo-EM structure of mouse heavy-chain apoferritin
To Be Published
2FE6
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BU of 2fe6 by Molmil
P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX
分子名称: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING MN
著者von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I.
登録日2005-12-15
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The status of high-valent metal oxo complexes in the P450 cytochromes.
J.Inorg.Biochem., 100, 2006
2ZQ2
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BU of 2zq2 by Molmil
Exploring trypsin S3 pocket
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者Brandt, T, Baum, B, Heine, A, Klebe, G.
登録日2008-08-03
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
5MHO
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BU of 5mho by Molmil
FXIIIa in complex with the inhibitor ZED2369
分子名称: CALCIUM ION, Coagulation factor XIII A chain, SULFATE ION, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2016-11-24
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献FXIIIa in complex with the inhibitor ZED2369
To Be Published
2ZQX
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BU of 2zqx by Molmil
Cytochrome P450BSbeta cocrystallized with heptanoic acid
分子名称: Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE
著者Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y.
登録日2008-08-22
公開日2009-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis.
J.Biol.Inorg.Chem., 2010
7BPB
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BU of 7bpb by Molmil
Human AAA+ ATPase VCP mutant - T76E, AMP-PNP bound form, Conformation I
分子名称: ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Yang, C, Zhang, H.
登録日2020-03-22
公開日2021-03-31
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
7U7O
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BU of 7u7o by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional T-A rich sequence.
分子名称: DNA (5'-D(A*TP*AP*AP*TP*TP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*TP*AP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*AP*AP*T)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2022-03-07
公開日2023-03-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
5MRJ
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BU of 5mrj by Molmil
Crystal structure of Endo-1,4-beta-xylanase-like protein from Acremonium chrysogenum
分子名称: Beta-xylanase, SULFATE ION
著者Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A.
登録日2016-12-23
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of Endo-1,4-beta-xylanase-like protein from Acremonium chrysogenum
To Be Published
7BP8
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BU of 7bp8 by Molmil
Human AAA+ ATPase VCP mutant - T76A, ADP-bound form
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Yang, C, Zhang, H.
登録日2020-03-21
公開日2021-03-31
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
7BP9
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BU of 7bp9 by Molmil
Human AAA+ ATPase VCP mutant - T76E, ADP-bound form
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Yang, C, Zhang, H.
登録日2020-03-21
公開日2021-03-31
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
5MRS
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BU of 5mrs by Molmil
Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A.
登録日2016-12-26
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
To Be Published

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