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5ESI
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BU of 5esi by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant
分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Sagatova, A, Keniya, M.V, Wilson, R, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
登録日2015-11-16
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
4FIT
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BU of 4fit by Molmil
FHIT-APO
分子名称: FRAGILE HISTIDINE TRIAD PROTEIN
著者Lima, C.D, Klein, M.G, Hendrickson, W.A.
登録日1997-09-25
公開日1998-03-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
5I0W
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BU of 5i0w by Molmil
IRON AND COPPER-BOUND P19 FROM CAMPYLOBACTER JEJUNI UNDER REDUCING CONDITIONS
分子名称: CHLORIDE ION, COPPER (I) ION, FE (II) ION, ...
著者Chan, A.C, Murphy, M.E.
登録日2016-02-04
公開日2017-02-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A copper site is required for iron transport by the periplasmic proteins P19 and FetP.
Metallomics, 12, 2020
1O06
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BU of 1o06 by Molmil
Crystal structure of the Vps27p Ubiquitin Interacting Motif (UIM)
分子名称: Vacuolar protein sorting-associated protein VPS27, ZINC ION
著者Fisher, R.D, Wang, B, Alam, S.L, Higginson, D.S, Rich, R, Myszka, D, Sundquist, W.I, Hill, C.P.
登録日2003-02-20
公開日2003-07-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and ubiquitin binding of the ubiquitin-interacting motif.
J.Biol.Chem., 278, 2003
6O2L
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BU of 6o2l by Molmil
NMR structure of the 2:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex
分子名称: 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3')
著者Lin, C, Liu, W, Yang, D.
登録日2019-02-24
公開日2019-10-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structures of 1:1 and 2:1 complexes of BMVC and MYC promoter G-quadruplex reveal a mechanism of ligand conformation adjustment for G4-recognition.
Nucleic Acids Res., 47, 2019
1B6P
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BU of 1b6p by Molmil
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7
分子名称: N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE, RETROPEPSIN, SULFATE ION
著者Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
登録日1999-01-17
公開日2000-01-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
6E0Z
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BU of 6e0z by Molmil
A131Q mutant of cyt P460 of Nitrosomonas sp. AL212
分子名称: Cytochrome P460, HEME C
著者Smith, M, Lancaster, K.
登録日2018-07-07
公開日2019-02-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
5E1H
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BU of 5e1h by Molmil
Ricin toxin in complex with neutralizing single chain monoclonal antibodies (VHHs)
分子名称: CHLORIDE ION, F8(JOB10) VHH antibody, Ricin
著者Rudolph, M.J, Vance, D, Shoemaker, C, Mantis, N.
登録日2015-09-29
公開日2016-08-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献Structural analysis of nested neutralizing and non-neutralizing B cell epitopes on ricin toxin's enzymatic subunit.
Proteins, 84, 2016
4FG8
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BU of 4fg8 by Molmil
Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-315 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1
著者Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J.
登録日2012-06-04
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
7R3Q
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BU of 7r3q by Molmil
Crystal structure of CTX-M-15 G238C/A240 insert mutant apoenzyme
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-02-07
公開日2022-05-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
6OCX
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BU of 6ocx by Molmil
Structure of human CIB1 in complex with peptide inhibitor UNC10245109
分子名称: CALCIUM ION, Calcium and integrin-binding protein 1, Peptide inhibitor UNC10245109
著者Puhl, A.C, Godoy, A.S, Pearce, K.
登録日2019-03-25
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Characterization of Peptide Inhibitors for Calcium and Integrin Binding Protein 1.
Acs Chem.Biol., 15, 2020
7QQ5
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BU of 7qq5 by Molmil
Structure of CTX-M-15 K73A mutant crystallised in the presence of enmetazobactam (AAI101)
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-01-06
公開日2022-05-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
1B0J
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BU of 1b0j by Molmil
CRYSTAL STRUCTURE OF ACONITASE WITH ISOCITRATE
分子名称: ACONITATE HYDRATASE, IRON/SULFUR CLUSTER, ISOCITRIC ACID
著者Lloyd, S.J, Lauble, H, Prasad, G.S, Stout, C.D.
登録日1998-11-10
公開日1998-11-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex
Protein Sci., 8, 1999
4WP0
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BU of 4wp0 by Molmil
Crystal structure of human kynurenine aminotransferase-I with a C-terminal V5-hexahistidine tag
分子名称: Kynurenine--oxoglutarate transaminase 1
著者Nadvi, N.A, Salam, N.K, Park, J, Akladios, F.N, Kapoor, V, Collyer, C.A, Gorrell, M.D, Church, W.B.
登録日2014-10-17
公開日2014-11-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human kynurenine aminotransferase-I in a novel space group
To be published
4WTU
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BU of 4wtu by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22
分子名称: (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
著者Whittington, D.A, Long, A.M.
登録日2014-10-30
公開日2015-03-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities.
Acs Med.Chem.Lett., 6, 2015
4C54
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BU of 4c54 by Molmil
Crystal structure of recombinant human IgG4 Fc
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Davies, A.M, Rispens, T, Ooijevaar-deHeer, P, Gould, H.J, Jefferis, R, Aalberse, R.C, Sutton, B.J.
登録日2013-09-10
公開日2013-11-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Determinants of Unique Properties of Human Igg4-Fc
J.Mol.Biol., 426, 2014
8D7I
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BU of 8d7i by Molmil
Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus
分子名称: Cathepsin G, C-terminal truncated form, Extracellular Adherence Protein, ...
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-07
公開日2023-06-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.63 Å)
主引用文献S. aureus Eap is a polyvalent inhibitor of neutrophil serine proteases.
J.Biol.Chem., 300, 2024
6BZJ
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BU of 6bzj by Molmil
Solution structure of AGL55
分子名称: M protein
著者Qiu, C, Yuan, Y, Castellino, F.J.
登録日2017-12-24
公開日2019-01-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Contributions of different modules of the plasminogen-binding Streptococcus pyogenes M-protein that mediate its functional dimerization.
J.Struct.Biol., 204, 2018
1AOR
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BU of 1aor by Molmil
STRUCTURE OF A HYPERTHERMOPHILIC TUNGSTOPTERIN ENZYME, ALDEHYDE FERREDOXIN OXIDOREDUCTASE
分子名称: ALDEHYDE FERREDOXIN OXIDOREDUCTASE, FE (III) ION, IRON/SULFUR CLUSTER, ...
著者Chan, M.K, Mukund, S, Kletzin, A, Adams, M.W.W, Rees, D.C.
登録日1995-02-13
公開日1995-04-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a hyperthermophilic tungstopterin enzyme, aldehyde ferredoxin oxidoreductase.
Science, 267, 1995
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
4YSW
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BU of 4ysw by Molmil
Structure of rat xanthine oxidoreductase, C-terminal deletion protein variant, NADH bound form
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, CALCIUM ION, ...
著者Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F.
登録日2015-03-17
公開日2015-04-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase.
Febs J., 282, 2015
4YTZ
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BU of 4ytz by Molmil
Rat xanthine oxidoreductase, C-terminal deletion protein variant, crystal grown without dithiothreitol
分子名称: BICARBONATE ION, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F, Nishino, T.
登録日2015-03-18
公開日2015-04-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase
Febs J., 282, 2015
5EKG
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BU of 5ekg by Molmil
Crystallization and X-ray Diffraction Data Collection of Importin-alpha from Mus musculus Complexed with a XPG NLS Peptide, fragment 2
分子名称: Importin subunit alpha-1, XPG2 peptide
著者Barros, A.C, Takeda, A.A.S, Fontes, M.R.M.
登録日2015-11-03
公開日2016-02-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and Calorimetric Studies Demonstrate that Xeroderma Pigmentosum Type G (XPG) Can Be Imported to the Nucleus by a Classical Nuclear Import Pathway via a Monopartite NLS Sequence.
J.Mol.Biol., 428, 2016
4GGB
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BU of 4ggb by Molmil
Crystal structure of a proposed galactarolactone cycloisomerase from agrobacterium tumefaciens, TARGET EFI-500704, WITH BOUND CA, DISORDERED LOOPS
分子名称: CALCIUM ION, CHLORIDE ION, Putative uncharacterized protein
著者Vetting, M.W, Bouvier, J.T, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-08-06
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Purification, crystallization and structural elucidation of D-galactaro-1,4-lactone cycloisomerase from Agrobacterium tumefaciens involved in pectin degradation.
Acta Crystallogr.,Sect.F, 72, 2016
5ESE
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BU of 5ese by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73R mutant complexed with fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
登録日2015-11-16
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018

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