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4Y3F
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Endothiapepsin in complex with fragment 78
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
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
6AVT
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BU of 6avt by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.5 WITH CROSS-LINKING TO FIRST BASE TEMPLATE OVERHANG
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ...
著者Martinez, S.E, Das, K, Arnold, E.
登録日2017-09-04
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
5UF8
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BU of 5uf8 by Molmil
Crystal structure of the ARF family small GTPase ARF2 from Candida albicans in complex with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Potential ADP-ribosylation factor
著者Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-01-03
公開日2017-01-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献Crystal structure of the ARF family small GTPase ARF2 from Candida albicans in complex with GDP
To Be Published
4Y3W
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BU of 4y3w by Molmil
Endothiapepsin in complex with fragment 35
分子名称: (2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine, 1,2-ETHANEDIOL, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
2NPZ
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BU of 2npz by Molmil
Crystal structure of junctioned hairpin ribozyme incorporating synthetic propyl linker
分子名称: 5'-R(*CP*GP*GP*UP*GP*AP*GP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*G)-3', ...
著者MacElrevey, C, Krucinska, J, Wedekind, J.E.
登録日2006-10-30
公開日2007-08-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献A posteriori design of crystal contacts to improve the X-ray diffraction properties of a small RNA enzyme.
Acta Crystallogr.,Sect.D, 63, 2007
5TW7
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BU of 5tw7 by Molmil
Crystal structure of a GMP synthase (glutamine-hydrolyzing) from Neisseria gonorrhoeae
分子名称: GMP synthase [glutamine-hydrolyzing], MAGNESIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-11-11
公開日2016-11-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of a GMP synthase (glutamine-hydrolyzing) from Neisseria gonorrhoeae
To be Published
6BD9
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BU of 6bd9 by Molmil
Saccharomyces cerevisiae acetohydroxyacid synthase
分子名称: Acetolactate synthase catalytic subunit, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Guddat, L.W, Lonhienne, T.
登録日2017-10-22
公開日2017-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism
Chemistryselect, 2017
5UG9
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BU of 5ug9 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
4Y6N
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BU of 4y6n by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-1
分子名称: 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, Glucosyl-3-phosphoglycerate synthase, ...
著者Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
登録日2015-02-13
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
6B03
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BU of 6b03 by Molmil
The crystal structure of the ferredoxin protease FusC in complex with its substrate plant ferredoxin
分子名称: Ferredoxin-2, chloroplastic, Putative zinc protease
著者Grinter, R.
登録日2017-09-13
公開日2018-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献FusC, a member of the M16 protease family acquired by bacteria for iron piracy against plants.
PLoS Biol., 16, 2018
2NPG
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BU of 2npg by Molmil
An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance
分子名称: ACETATE ION, Ammonia channel, GLYCEROL, ...
著者Lupo, D, Winkler, F.K.
登録日2006-10-27
公開日2006-11-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An unusual twin-his arrangement in the pore of ammonia channels is essential for substrate conductance
J.Biol.Chem., 281, 2006
4Y7M
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BU of 4y7m by Molmil
T6SS protein TssM C-terminal domain (835-1129) from EAEC
分子名称: Hi113 protein, SULFATE ION, Type VI secretion protein IcmF
著者Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C.
登録日2015-02-15
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
2NOP
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BU of 2nop by Molmil
An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance
分子名称: ACETATE ION, Ammonia channel, GLYCEROL, ...
著者Lupo, D, Winkler, F.K.
登録日2006-10-26
公開日2006-11-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An unusual twin-his arrangement in the pore of ammonia channels is essential for substrate conductance
J.Biol.Chem., 281, 2006
2NPY
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BU of 2npy by Molmil
Crystal Structure of a junctioned hairpin ribozyme incorporating 9atom linker and 2'-deoxy 2'-amino U at A-1
分子名称: 2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATE, 5'-R(*CP*GP*GP*UP*GP*AP*GP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', ...
著者MacElrevey, C, Krucinska, J, Wedekind, J.E.
登録日2006-10-30
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A posteriori design of crystal contacts to improve the X-ray diffraction properties of a small RNA enzyme.
Acta Crystallogr.,Sect.D, 63, 2007
5UE9
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BU of 5ue9 by Molmil
WT DHODB with orotate bound
分子名称: CHLORIDE ION, Dihydroorotate dehydrogenase, Dihydroorotate dehydrogenase B (NAD(+)), ...
著者Pompeu, Y.A, Stewart, J.D.
登録日2016-12-29
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Isoleucine 74 Plays a Key Role in Controlling Electron Transfer Between Lactococcus lactis Dihydroorotate Dehydrogenase 1B Subunits
to be published
2MTA
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BU of 2mta by Molmil
CRYSTAL STRUCTURE OF A TERNARY ELECTRON TRANSFER COMPLEX BETWEEN METHYLAMINE DEHYDROGENASE, AMICYANIN AND A C-TYPE CYTOCHROME
分子名称: AMICYANIN, COPPER (II) ION, CYTOCHROME C551I, ...
著者Chen, L, Mathews, F.S.
登録日1993-10-26
公開日1994-01-31
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of an electron transfer complex: methylamine dehydrogenase, amicyanin, and cytochrome c551i.
Science, 264, 1994
6B43
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BU of 6b43 by Molmil
CryoEM structure and atomic model of the Kaposi's sarcoma-associated herpesvirus capsid
分子名称: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Dai, X.H, Gong, D.Y, Sun, R, Zhou, Z.H.
登録日2017-09-25
公開日2017-11-08
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structure and mutagenesis reveal essential capsid protein interactions for KSHV replication.
Nature, 553, 2018
6ASK
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BU of 6ask by Molmil
Crystal Structure of apo Flavin monooxygenase CmoJ (earlier YtnJ)
分子名称: Putative monooxygenase MoxC
著者Bhandari, D.M, Zhao, B, Li, P, Begley, T.P.
登録日2017-08-24
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Flavin mediated Pummerer type rearrangement in cysteine salvage pathway
To Be Published
6BBG
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BU of 6bbg by Molmil
The CRAC channel Orai in an unlatched-closed conformation
分子名称: Calcium release-activated calcium channel protein 1
著者Long, S.B, Hou, X, Burstein, S.
登録日2017-10-18
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (6.9 Å)
主引用文献Structures reveal opening of the store-operated calcium channel Orai.
Elife, 7, 2018
2MPE
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BU of 2mpe by Molmil
Solution NMR structure for B. pseudomallei BPSL1050
分子名称: BPSL1050
著者Gaudesi, D, Musco, G, Quilici, G.
登録日2014-05-15
公開日2015-03-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure-Based Design of a B Cell Antigen from B. pseudomallei.
Acs Chem.Biol., 10, 2015
6AV5
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BU of 6av5 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G356D mutant heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2017-09-01
公開日2018-07-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
4YMM
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BU of 4ymm by Molmil
Structure of human DNA polymerase beta complexed with 7BG as the template base in a 1-nucleotide gapped DNA
分子名称: DNA 10-mer (up-primer), DNA 16-mer (template), DNA 5-mer (dn-primer), ...
著者Lee, S, Koag, M.-C.
登録日2015-03-06
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Structure of human DNA polymerase beta complexed with 7BG as the template base in a 1-nucleotide gapped DNA
To Be Published
4YMO
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BU of 4ymo by Molmil
Structure of human DNA polymerase beta complexed with N7BG in the template opposite to incoming non-hydrolyzable CTP WITH MANGANESE IN THE ACTIVE SITE
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA 10-mer (up-primer), DNA 16-mer (template), ...
著者Lee, S, Koag, M.-C.
登録日2015-03-07
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.148 Å)
主引用文献Structural and kinetic studies of the effect of guanine-N7 alkylation and metal cofactors on DNA replication.
Biochemistry, 2018
4Y44
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BU of 4y44 by Molmil
Endothiapepsin in complex with fragment 164
分子名称: 4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile, ACETATE ION, Endothiapepsin, ...
著者Krimmer, S.G, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y4F
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BU of 4y4f by Molmil
Crystal structure of the mCD1d/GCK127/iNKTCR ternary complex
分子名称: (1R)-1,5-anhydro-1-[(1E,3S,4S,5R)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-D-galactitol, 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Zajonc, D.M, Yu, E.D.
登録日2015-02-10
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells
To Be Published

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件を2024-08-14に公開中

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