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6PYJ
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BU of 6pyj by Molmil
Crystal Structure of HLA-B*2705 in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-30
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
3CJ3
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BU of 3cj3 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
Descriptor: 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Kissinger, c.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CJ2
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BU of 3cj2 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
Descriptor: 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Kissinger, c.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CND
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BU of 3cnd by Molmil
Crystal structure of fms1 in complex with N1-AcSpermine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, Polyamine oxidase FMS1
Authors:Huang, Q, Hao, Q.
Deposit date:2008-03-25
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of fms1 in complex with N1-AcSpermine
TO BE PUBLISHED
3CNT
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BU of 3cnt by Molmil
Crystal structure of fms1 in complex with R-Bz-MeSpermidine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide, fms1
Authors:Huang, Q, Hao, Q.
Deposit date:2008-03-26
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of fms1 in complex with R-Bz-MeSpermidine
TO BE PUBLISHED
3CN4
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BU of 3cn4 by Molmil
Human transthyretin (TTR) in complex with N-(3,5-Dibromo-4-hydroxyphenyl)benzamide
Descriptor: N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-03-24
Release date:2008-10-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Toward optimization of the linker substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 51, 2008
3CNL
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BU of 3cnl by Molmil
Crystal structure of GNP-bound YlqF from T. maritima
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Putative uncharacterized protein
Authors:Kim, D.J, Jang, J.Y, Yoon, H.-J, Suh, S.W.
Deposit date:2008-03-26
Release date:2008-06-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of YlqF, a circularly permuted GTPase: Implications for its GTPase activation in 50 S ribosomal subunit assembly
Proteins, 72, 2008
3CNS
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BU of 3cns by Molmil
Crystal structure of fms1 in complex with S-Bz-MeSpermidine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide, fms1
Authors:Huang, Q, Hao, H.
Deposit date:2008-03-26
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of fms1 in complex with S-Bz-MeSpermidine
TO BE PUBLISHED
3MM4
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BU of 3mm4 by Molmil
Crystal structure of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana
Descriptor: Histidine kinase homolog
Authors:Marek, J, Klumpler, T, Pekarova, B, Triskova, O, Horak, J, Zidek, L, Dopitova, R, Hejatko, J, Janda, L.
Deposit date:2010-04-19
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and binding specificity of the receiver domain of sensor histidine kinase CKI1 from Arabidopsis thaliana.
Plant J., 67, 2011
6Q8E
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BU of 6q8e by Molmil
Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum in PMP-form
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Branched-chain-amino-acid aminotransferase, CHLORIDE ION
Authors:Boyko, K.M, Bezsudnova, E.Y, Nikolaeva, A.Y, Zeifman, Y.S, Rakitina, T.V, Popov, V.O.
Deposit date:2018-12-14
Release date:2019-01-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical and structural insights into PLP fold type IV transaminase from Thermobaculum terrenum.
Biochimie, 158, 2018
6PWI
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BU of 6pwi by Molmil
Structure of CpGH84D
Descriptor: 1,2-ETHANEDIOL, Putative hyaluronoglucosaminidase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Glycobiology, 30, 2019
6PWT
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BU of 6pwt by Molmil
Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of GlcNAc2Man3 oligosaccharide
Descriptor: 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)]alpha-D-mannopyranose, CALCIUM ION, Fc fragment of IgE receptor II
Authors:Weis, W.I, Feinberg, H.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
3CI4
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BU of 3ci4 by Molmil
Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with four-coordinate cob(II)inamide and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, COB(II)INAMIDE, Cobalamin adenosyltransferase PduO-like protein, ...
Authors:Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2008-03-10
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate.
Biochemistry, 47, 2008
6ZA7
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BU of 6za7 by Molmil
Structure of the apo transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
Authors:Morera, S, Vigouroux, A, Legrand, P.
Deposit date:2020-06-04
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
3MQ3
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BU of 3mq3 by Molmil
Crystal structure of native bovine PDP1c
Descriptor: MANGANESE (II) ION, Pyruvate dehydrogenase phosphatase 1
Authors:Guo, Y, Ernst, S.R, Carroll, D.W, Hackert, M.L.
Deposit date:2010-04-27
Release date:2011-05-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Catalytic Subunit of Bovine Pyruvate Dehydrogenase Phophatase
To be Published, 2010
3D5F
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BU of 3d5f by Molmil
Crystal Structure of PPAR-delta complex
Descriptor: Peroxisome proliferator-activated receptor delta, {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid
Authors:Amano, Y.
Deposit date:2008-05-16
Release date:2008-06-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PPAR-Delta Activation Contributes to Neuroprotectio Against Thapsigargin-Induced SH-SY5Y Cell Death
to be published
7Q34
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BU of 7q34 by Molmil
Crystal structure of the multidrug binding transcriptional regulator LmrR in complex squaraine dye
Descriptor: 2,4-bis[(E)-(1-ethyl-3,3-dimethyl-indol-2-ylidene)methyl]cyclobutane-1,3-dione, Helix-turn-helix transcriptional regulator, NICKEL (II) ION
Authors:Liutkus, M, Mejias, S.H, Barolo, C, Cortajarena, A.L.
Deposit date:2021-10-26
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Designing Artificial Fluorescent Proteins: Squaraine-LmrR Biophosphors for High Performance Deep-Red Biohybrid Light-Emitting Diodes
Adv Funct Mater, 32, 2022
3D62
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BU of 3d62 by Molmil
Development of Broad-Spectrum Halomethyl Ketone Inhibitors Against Coronavirus Main Protease 3CLpro
Descriptor: 3C-like proteinase, benzyl (2-oxopropyl)carbamate
Authors:Bacha, U, Barrila, J, Gabelli, S.B, Kiso, Y, Amzel, L.M, Freire, E.
Deposit date:2008-05-18
Release date:2008-07-01
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Development of broad-spectrum halomethyl ketone inhibitors against coronavirus main protease 3CL(pro).
Chem.Biol.Drug Des., 72, 2008
6ZDY
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BU of 6zdy by Molmil
Crystal structure of WT murine S100A9 bound to calcium and zinc
Descriptor: CALCIUM ION, Protein S100-A9, SULFATE ION, ...
Authors:Yatime, L.
Deposit date:2020-06-15
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Divalent cations influence the dimerization mode of murine S100A9 protein by modulating its disulfide bond pattern.
J.Struct.Biol., 213, 2020
6Q9U
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BU of 6q9u by Molmil
HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 12 AT 2.4A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, CHLORIDE ION, ...
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6PYW
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BU of 6pyw by Molmil
Crystal Structure of HLA-B*2705-W60A in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
3MBE
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BU of 3mbe by Molmil
TCR 21.30 in complex with MHC class II I-Ag7HEL(11-27)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC CLASS II H2-IAg7 ALPHA CHAIN, ...
Authors:Corper, A.L, Yoshida, K, Teyton, L, Wilson, I.A.
Deposit date:2010-03-25
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.886 Å)
Cite:The diabetogenic mouse MHC class II molecule I-Ag7 is endowed with a switch that modulates TCR affinity.
J.Clin.Invest., 120, 2010
3MEW
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BU of 3mew by Molmil
Crystal structure of Novel Tudor domain-containing protein SGF29
Descriptor: SAGA-associated factor 29 homolog
Authors:Xu, C, Bian, C.B, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
3CWE
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BU of 3cwe by Molmil
PTP1B in complex with a phosphonic acid inhibitor
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1, [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid
Authors:Scapin, G, Han, Y, Kennedy, B.P.
Deposit date:2008-04-21
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
3ML0
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BU of 3ml0 by Molmil
Thermostable Penicillin G acylase from Alcaligenes faecalis in tetragonal form
Descriptor: CALCIUM ION, Penicillin G acylase, alpha subunit, ...
Authors:Varshney, N.K, Kumar, R.S, Ignatova, Z, Dodson, E, Suresh, C.G.
Deposit date:2010-04-16
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystallization and X-ray structure analysis of a thermostable penicillin G acylase from Alcaligenes faecalis.
Acta Crystallogr.,Sect.F, 68, 2012

224004

數據於2024-08-21公開中

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