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6CWX
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BU of 6cwx by Molmil
Crystal structure of human ribonuclease P/MRP proteins Rpp20/Rpp25
分子名称: FORMIC ACID, Ribonuclease P protein subunit p20, Ribonuclease P protein subunit p25, ...
著者Chan, C.W, Kiesel, B.R, Mondragon, A.
登録日2018-03-31
公開日2018-04-18
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Human Rpp20/Rpp25 Reveals Quaternary Level Adaptation of the Alba Scaffold as Structural Basis for Single-stranded RNA Binding.
J. Mol. Biol., 430, 2018
6HAI
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BU of 6hai by Molmil
AlbAM131A mutant in complex with albicidin , albicidin resistance protein
分子名称: 4-[[4-[[4-[(3~{S})-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, Albicidin resistance protein, SULFATE ION
著者Koehnke, J, Sikandar, A.
登録日2018-08-07
公開日2018-11-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
6HB3
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BU of 6hb3 by Molmil
Structure of Hgh1, crystal form II
分子名称: Protein HGH1
著者Moenkemeyer, L, Klaips, C.L, Balchin, D, Koerner, R, Hartl, F.U, Bracher, A.
登録日2018-08-09
公開日2019-02-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Chaperone Function of Hgh1 in the Biogenesis of Eukaryotic Elongation Factor 2.
Mol.Cell, 74, 2019
4X3C
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BU of 4x3c by Molmil
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-NICOTINAMIDE HYBRID INHIBITOR
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, Acetylcholinesterase, ...
著者Pesaresi, A, Lamba, D.
登録日2014-11-28
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-NICOTINAMIDE HYBRID INHIBITOR
To Be Published
6CG9
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BU of 6cg9 by Molmil
Crystal structure of Triosephosphate Isomerase from Zea mays (mexican corn)
分子名称: ACETATE ION, GLYCEROL, Triosephosphate isomerase, ...
著者Romero-Romero, S, Fernandez-Velasco, D.A, Rodriguez-Romero, A.
登録日2018-02-19
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and conformational stability of the triosephosphate isomerase from Zea mays. Comparison with the chemical unfolding pathways of other eukaryotic TIMs.
Arch. Biochem. Biophys., 658, 2018
6CXN
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BU of 6cxn by Molmil
HRFLRH peptide NMR structure
分子名称: Hexapeptide HRFLRH
著者Pires, D.A.T, Arake, L.M.R, Silva, L.P, Lopez-Castillo, A, Prates, M.V, Nascimento, C.J, Bloch Jr, C.
登録日2018-04-03
公開日2018-07-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A previously undescribed hexapeptide His-Arg-Phe-Leu-Arg-His-NH2from amphibian skin secretion shows CO2and metal biding affinities.
Peptides, 106, 2018
4WWB
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BU of 4wwb by Molmil
High-resolution structure of the Ni-bound form of the Y135F mutant of C. metallidurans CnrXs
分子名称: CARBON DIOXIDE, CHLORIDE ION, FORMIC ACID, ...
著者Volbeda, A, Coves, J, Maillard, A.P, Kuennemann, S, Grosse, C, Schleuder, G, Petit-Haertlein, I, de Rosny, E, Nies, D.H.
登録日2014-11-10
公開日2015-02-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
6HIF
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BU of 6hif by Molmil
Kuenenia stuttgartiensis hydrazine dehydrogenase complex
分子名称: GLYCEROL, HEME C, Hydrazine dehydrogenase, ...
著者Akram, M, Dietl, A, Mersdorf, U, Prinz, S, Maalcke, W, Keltjens, J, Ferousi, C, de Almeida, N.M, Reimann, J, Kartal, B, Jetten, M.S.M, Parey, K, Barends, T.R.M.
登録日2018-08-29
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A 192-heme electron transfer network in the hydrazine dehydrogenase complex.
Sci Adv, 5, 2019
6HB1
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BU of 6hb1 by Molmil
Structure of Hgh1, crystal form I
分子名称: CHLORIDE ION, Protein HGH1
著者Moenkemeyer, L, Klaips, C.L, Balchin, D, Koerner, R, Hartl, F.U, Bracher, A.
登録日2018-08-09
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Chaperone Function of Hgh1 in the Biogenesis of Eukaryotic Elongation Factor 2.
Mol.Cell, 74, 2019
1RUM
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BU of 1rum by Molmil
Crystal structure (F) of H2O2-soaked cationic cyclization antibody 4C6 fab at pH 8.5 with a data set collected at SSRL beamline 9-1.
分子名称: BENZOIC ACID, GLYCEROL, immunoglobulin igg2a, ...
著者Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A.
登録日2003-12-11
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Probing the antibody-catalyzed water-oxidation pathway at atomic resolution.
Proc.Natl.Acad.Sci.USA, 110, 2004
6HLL
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BU of 6hll by Molmil
Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994
分子名称: (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine, Substance-P receptor,GlgA glycogen synthase,Substance-P receptor
著者Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A.
登録日2018-09-11
公開日2019-01-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
6HLY
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BU of 6hly by Molmil
Structure in P212121 form of the PBP AgtB in complex with agropinic acid from A.tumefacien R10
分子名称: 1,2-ETHANEDIOL, Agropine permease, agropinic acid
著者Morera, S, Marty, L, Vigouroux, A.
登録日2018-09-11
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for two efficient modes of agropinic acid opine import into the bacterial pathogenAgrobacterium tumefaciens.
Biochem. J., 476, 2019
1ATJ
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BU of 1atj by Molmil
RECOMBINANT HORSERADISH PEROXIDASE C1A
分子名称: CALCIUM ION, PEROXIDASE C1A, PROTOPORPHYRIN IX CONTAINING FE
著者Gajhede, M, Schuller, D.J, Henriksen, A, Smith, A.T, Poulos, T.L.
登録日1997-08-14
公開日1998-02-04
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of horseradish peroxidase C at 2.15 A resolution.
Nat.Struct.Biol., 4, 1997
4WS4
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BU of 4ws4 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form I
分子名称: 5-nitrouracil, CHLORIDE ION, CITRIC ACID, ...
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
6CD0
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BU of 6cd0 by Molmil
Crystal structure of Medicago truncatula serine hydroxymethyltransferase 3 (MtSHMT3), PLP-internal aldimine and apo form
分子名称: ACETATE ION, FORMIC ACID, Serine hydroxymethyltransferase
著者Ruszkowski, M, Sekula, B, Ruszkowska, A, Dauter, Z.
登録日2018-02-07
公開日2018-05-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Chloroplastic Serine Hydroxymethyltransferase FromMedicago truncatula: A Structural Characterization.
Front Plant Sci, 9, 2018
4WRX
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BU of 4wrx by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form V
分子名称: CHLORIDE ION, Uracil-DNA glycosylase
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS0
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BU of 4ws0 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (A), Form II
分子名称: 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ...
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.974 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
6HN3
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BU of 6hn3 by Molmil
wildtype form (apo) of human GPX4 with Se-Cys46
分子名称: CHLORIDE ION, ETHANOL, GLYCEROL, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Hoffmann, J, Schnirch, L, Eaton, J.K, Badock, V, Gradl, S.
登録日2018-09-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162.
Acta Crystallogr D Struct Biol, 77, 2021
4WTQ
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BU of 4wtq by Molmil
Structure of the Ssl1 laccase mutant M295L
分子名称: COPPER (II) ION, Copper oxidase, GLYCEROL, ...
著者Gunne, M, Hoeppner, A, Urlacher, V.B.
登録日2014-10-30
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Ssl1 laccase mutant M295L
To Be Published
6CDT
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BU of 6cdt by Molmil
Structure of Human Anaplastic Lymphoma Kinase Domain
分子名称: ALK tyrosine kinase receptor
著者McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
登録日2018-02-09
公開日2019-02-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reviving B-Factors: Activating ALK Mutations Increase Protein Dynamics of the Unphosphorylated Kinase.
ACS Med Chem Lett, 9, 2018
4WS3
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BU of 4ws3 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, Form IV
分子名称: 6-aminopyrimidine-2,4(3H,5H)-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
6HZZ
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BU of 6hzz by Molmil
Structure of human D-glucuronyl C5 epimerase
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Debarnot, C, Monneau, Y.R, Roig-Zamboni, V, Le Narvor, C, Goulet, A, Fadel, F, Vives, R.R, Bonnaffe, D, Lortat-Jacob, H, Bourne, Y.
登録日2018-10-24
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase.
Proc.Natl.Acad.Sci.USA, 116, 2019
4WS8
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BU of 4ws8 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 2-thiouracil, Form V
分子名称: 2-thioxo-2,3-dihydropyrimidin-4(1H)-one, CHLORIDE ION, Uracil-DNA glycosylase
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WSD
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BU of 4wsd by Molmil
Complex of 70S ribosome with tRNA-Phe and mRNA with C-A mismatch in the second position in the A-site and with antibiotic paromomycin.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
登録日2014-10-27
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015
6HK4
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BU of 6hk4 by Molmil
Crystal structure of GSK-3B in complex with pyrazine inhibitor C22
分子名称: 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ...
著者Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A.
登録日2018-09-05
公開日2019-07-17
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019

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