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6CWX
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BU of 6cwx by Molmil
Crystal structure of human ribonuclease P/MRP proteins Rpp20/Rpp25
Descriptor: FORMIC ACID, Ribonuclease P protein subunit p20, Ribonuclease P protein subunit p25, ...
Authors:Chan, C.W, Kiesel, B.R, Mondragon, A.
Deposit date:2018-03-31
Release date:2018-04-18
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: 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
Authors:Koehnke, J, Sikandar, A.
Deposit date:2018-08-07
Release date:2018-11-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Protein HGH1
Authors:Moenkemeyer, L, Klaips, C.L, Balchin, D, Koerner, R, Hartl, F.U, Bracher, A.
Deposit date:2018-08-09
Release date:2019-02-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Pesaresi, A, Lamba, D.
Deposit date:2014-11-28
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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)
Descriptor: ACETATE ION, GLYCEROL, Triosephosphate isomerase, ...
Authors:Romero-Romero, S, Fernandez-Velasco, D.A, Rodriguez-Romero, A.
Deposit date:2018-02-19
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Hexapeptide HRFLRH
Authors:Pires, D.A.T, Arake, L.M.R, Silva, L.P, Lopez-Castillo, A, Prates, M.V, Nascimento, C.J, Bloch Jr, C.
Deposit date:2018-04-03
Release date:2018-07-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: CARBON DIOXIDE, CHLORIDE ION, FORMIC ACID, ...
Authors:Volbeda, A, Coves, J, Maillard, A.P, Kuennemann, S, Grosse, C, Schleuder, G, Petit-Haertlein, I, de Rosny, E, Nies, D.H.
Deposit date:2014-11-10
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.11 Å)
Cite: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
Descriptor: GLYCEROL, HEME C, Hydrazine dehydrogenase, ...
Authors: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.
Deposit date:2018-08-29
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: CHLORIDE ION, Protein HGH1
Authors:Moenkemeyer, L, Klaips, C.L, Balchin, D, Koerner, R, Hartl, F.U, Bracher, A.
Deposit date:2018-08-09
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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.
Descriptor: BENZOIC ACID, GLYCEROL, immunoglobulin igg2a, ...
Authors:Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A.
Deposit date:2003-12-11
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.48 Å)
Cite: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
Descriptor: (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine, Substance-P receptor,GlgA glycogen synthase,Substance-P receptor
Authors:Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A.
Deposit date:2018-09-11
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.27 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Agropine permease, agropinic acid
Authors:Morera, S, Marty, L, Vigouroux, A.
Deposit date:2018-09-11
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: CALCIUM ION, PEROXIDASE C1A, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gajhede, M, Schuller, D.J, Henriksen, A, Smith, A.T, Poulos, T.L.
Deposit date:1997-08-14
Release date:1998-02-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 5-nitrouracil, CHLORIDE ION, CITRIC ACID, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WRX
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BU of 4wrx by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form V
Descriptor: CHLORIDE ION, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: ACETATE ION, FORMIC ACID, Serine hydroxymethyltransferase
Authors:Ruszkowski, M, Sekula, B, Ruszkowska, A, Dauter, Z.
Deposit date:2018-02-07
Release date:2018-05-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Chloroplastic Serine Hydroxymethyltransferase FromMedicago truncatula: A Structural Characterization.
Front Plant Sci, 9, 2018
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
Descriptor: 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.974 Å)
Cite: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
Descriptor: CHLORIDE ION, ETHANOL, GLYCEROL, ...
Authors:Hillig, R.C, Moosmayer, D, Hilpmann, A, Hoffmann, J, Schnirch, L, Eaton, J.K, Badock, V, Gradl, S.
Deposit date:2018-09-13
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.01 Å)
Cite: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
Descriptor: COPPER (II) ION, Copper oxidase, GLYCEROL, ...
Authors:Gunne, M, Hoeppner, A, Urlacher, V.B.
Deposit date:2014-10-30
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ALK tyrosine kinase receptor
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2018-02-09
Release date:2019-02-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Reviving B-Factors: Activating ALK Mutations Increase Protein Dynamics of the Unphosphorylated Kinase.
ACS Med Chem Lett, 9, 2018
6HZZ
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BU of 6hzz by Molmil
Structure of human D-glucuronyl C5 epimerase
Descriptor: 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, ...
Authors: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.
Deposit date:2018-10-24
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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
Descriptor: 6-aminopyrimidine-2,4(3H,5H)-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
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
Descriptor: 2-thioxo-2,3-dihydropyrimidin-4(1H)-one, CHLORIDE ION, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
Deposit date:2014-10-27
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.95 Å)
Cite: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
Descriptor: 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, ...
Authors:Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A.
Deposit date:2018-09-05
Release date:2019-07-17
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019

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数据于2024-07-17公开中

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