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4ZJK
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FIVE MINUTES IRON LOADED HUMAN H FERRITIN
分子名称: CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ...
著者Pozzi, C, Di Pisa, F, Mangani, S.
登録日2015-04-29
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
6D3A
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BU of 6d3a by Molmil
Structure of human ARH3 D314E bound to ADP-ribose and magnesium
分子名称: MAGNESIUM ION, Poly(ADP-ribose) glycohydrolase ARH3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Pourfarjam, Y, Ventura, J, Kurinov, I, Kim, I.K.
登録日2018-04-15
公開日2018-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.60001016 Å)
主引用文献Structure of human ADP-ribosyl-acceptor hydrolase 3 bound to ADP-ribose reveals a conformational switch that enables specific substrate recognition.
J.Biol.Chem., 293, 2018
6U7A
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Rv3722c in complex with kynurenine
分子名称: (2S)-4-(2-aminophenyl)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-hydroxyquinoline-2-carboxylic acid, ...
著者Mandyoli, L, Sacchettini, J.
登録日2019-09-01
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosis.
Nat Commun, 11, 2020
4QCC
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BU of 4qcc by Molmil
Structure of a cube-shaped, highly porous protein cage designed by fusing symmetric oligomeric domains
分子名称: 2-dehydro-3-deoxy-6-phosphogalactonate aldolase, peptidyl-prolyl cis-trans isomerase chimera
著者Lai, Y.-T, Yeates, T.O.
登録日2014-05-10
公開日2014-11-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (7.078 Å)
主引用文献Structure of a designed protein cage that self-assembles into a highly porous cube.
Nat Chem, 6, 2014
6CTI
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BU of 6cti by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CCL2, beta, gamma dTTP analogue
分子名称: 5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-23
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
6CTR
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BU of 6ctr by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHF (R & S isomers), beta, gamma dCTP analogue
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-deoxy-5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, 2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-23
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
7PA2
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BU of 7pa2 by Molmil
PARK7 with inhibitor 8RK64
分子名称: (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7
著者Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P.
登録日2021-07-28
公開日2022-08-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
7RVB
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BU of 7rvb by Molmil
High resolution map of molecular chaperone Artemin
分子名称: Ferritin
著者Parvate, A.D, Powell, S.M, Brookreason, J.T, Novikova, I.V, Evans, J.E.
登録日2021-08-18
公開日2022-12-14
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.04 Å)
主引用文献Cryo-EM structure of the diapause chaperone artemin.
Front Mol Biosci, 9, 2022
6CMQ
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BU of 6cmq by Molmil
Structure of human SHP2 without N-SH2 domain
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D.
登録日2018-03-06
公開日2018-11-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
7PA3
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PARK7 with covalent inhibitor JYQ-88
分子名称: (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7
著者Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P.
登録日2021-07-28
公開日2022-08-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
6CNF
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BU of 6cnf by Molmil
Yeast RNA polymerase III elongation complex
分子名称: DNA (79-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
著者Han, Y, He, Y.
登録日2018-03-08
公開日2018-08-22
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
6CUN
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BU of 6cun by Molmil
Engineered Cytochrome c from Rhodothermus marinus (Rma TDE) bound to carbene intermediate (1-ethoxy-1-oxopropan-2-ylidene)
分子名称: Cytochrome c, ETHYL PROPIONATE, HEME C
著者Lewis, R.D, Buller, A.R, Arnold, F.H.
登録日2018-03-26
公開日2018-06-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Catalytic iron-carbene intermediate revealed in a cytochromeccarbene transferase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4Z83
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BU of 4z83 by Molmil
PKAB3 in complex with pyrrolidine inhibitor 47a
分子名称: 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Lund, B.A, Alam, K.A, Engh, R.A.
登録日2015-04-08
公開日2015-12-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic.
Chemistry, 22, 2016
6CPQ
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BU of 6cpq by Molmil
Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable CTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*(CGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2018-03-13
公開日2019-03-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable CTP
To Be Published
6CUK
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BU of 6cuk by Molmil
Engineered Cytochrome c from Rhodothermus marinus, Rma TDE
分子名称: Cytochrome c, HEME C
著者Lewis, R.D, Buller, A.R, Arnold, F.H.
登録日2018-03-26
公開日2018-06-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Catalytic iron-carbene intermediate revealed in a cytochromeccarbene transferase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6D30
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BU of 6d30 by Molmil
Structure of human Usb1 with uridine-uridine, inactive H208Q mutant
分子名称: CHLORIDE ION, RNA (5'-R(UP*U)-3'), U6 snRNA phosphodiesterase
著者Nomura, Y, Montemayor, E.J, Butcher, S.E.
登録日2018-04-14
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structural and mechanistic basis for preferential deadenylation of U6 snRNA by Usb1.
Nucleic Acids Res., 46, 2018
6UG0
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BU of 6ug0 by Molmil
N2-bound Nitrogenase MoFe-protein from Azotobacter vinelandii
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
著者Kang, W, Hu, Y, Ribbe, M.W.
登録日2019-09-25
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural evidence for a dynamic metallocofactor during N2reduction by Mo-nitrogenase.
Science, 368, 2020
4QJM
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BU of 4qjm by Molmil
Crystal structure of human carbonic anhydrase isozyme II with inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, BICINE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-06-04
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4Q57
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BU of 4q57 by Molmil
Crystal structure of the plectin 1a actin-binding domain/N-terminal domain of calmodulin complex
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Song, J.-G, Kostan, J, Grishkovskaya, I, Djinovic-Carugo, K.
登録日2014-04-16
公開日2014-07-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the plectin 1a actin-binding domain/N-terminal domain of calmodulin complex
To be Published
4ZC6
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BU of 4zc6 by Molmil
Crystal Structure of human GGT1 in complex with Serine Borate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Gamma-glutamyltranspeptidase 1 heavy chain, ...
著者Terzyan, S, Hanigan, M.
登録日2015-04-15
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
6TWL
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BU of 6twl by Molmil
Apo structure of the Ectoine utilization protein EutE (DoeB) from Ruegeria pomeroyi
分子名称: N-acetyl-L-2,4-diaminobutyric acid deacetylase
著者Mais, C.-N, Altegoer, F, Bange, G.
登録日2020-01-13
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Degradation of the microbial stress protectants and chemical chaperones ectoine and hydroxyectoine by a bacterial hydrolase-deacetylase complex.
J.Biol.Chem., 295, 2020
6CUV
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BU of 6cuv by Molmil
Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6
分子名称: PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1
著者Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H.
登録日2018-03-26
公開日2018-09-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
6TX6
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BU of 6tx6 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH NICOTINAMIDE
分子名称: CHLORIDE ION, NICOTINAMIDE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6UK5
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BU of 6uk5 by Molmil
Structure of SAM bound CalS10, an amino pentose methyltransferase from Micromonospora echinaspora involved in calicheamicin biosynthesis
分子名称: ACETATE ION, CalS10, DI(HYDROXYETHYL)ETHER, ...
著者Alvarado, S.K, Miller, M.D, Xu, W, Wang, Z, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N.
登録日2019-10-04
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of SAM bound CalS10, an amino pentose methyltransferase from Micromonospora echinaspora involved in calicheamicin biosynthesis
To Be Published
4Q6E
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BU of 4q6e by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzene-1-sulfonamide
分子名称: 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-22
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014

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件を2025-07-09に公開中

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