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PDB: 51630 results

4NCV
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BU of 4ncv by Molmil
Foldon domain wild type N-conjugate
Descriptor: Fibritin
Authors:Graewert, M.A, Berthelmann, A, Lach, J, Groll, M, Eichler, J.
Deposit date:2013-10-25
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer.
Org.Biomol.Chem., 12, 2014
4NQS
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BU of 4nqs by Molmil
Knob-into-hole IgG Fc
Descriptor: Ig gamma-1 chain C region, miniZ
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2013-11-25
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Antiparallel Conformation of Knob and Hole Aglycosylated Half-Antibody Homodimers Is Mediated by a CH2-CH3 Hydrophobic Interaction.
J.Mol.Biol., 426, 2014
4NVG
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BU of 4nvg by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.742 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NZC
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BU of 4nzc by Molmil
Crystal structure of Chitinase D from Serratia proteamaculans at 1.45 Angstrom resolution
Descriptor: ACETATE ION, GLYCEROL, Glycoside hydrolase family 18
Authors:Madhuprakash, J, Singh, A, Kumar, S, Sinha, M, Kaur, P, Sharma, S, Podile, A.R, Singh, T.P.
Deposit date:2013-12-12
Release date:2014-01-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of chitinase D from Serratia proteamaculans reveals the structural basis of its dual action of hydrolysis and transglycosylation
Int J Biochem Mol Biol, 4, 2013
4NNQ
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BU of 4nnq by Molmil
Crystal structure of LnmF protein from Streptomyces amphibiosporus
Descriptor: Putative enoyl-CoA hydratase, SULFATE ION
Authors:Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2013-11-18
Release date:2014-01-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:

4O0J
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BU of 4o0j by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid
Descriptor: (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-13
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
4QKS
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BU of 4qks by Molmil
Crystal Structure of 6xTrp/PV2: de novo designed beta-trefoil architecture with symmetric primary structure (L22W/L44W/L64W/L85W/L108W/L132W his Primitive Version 2)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DE NOVO PROTEIN 6XTRP/PV2, SULFATE ION
Authors:Longo, L.M, Tenorio, C.A, Blaber, M.
Deposit date:2014-06-09
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A single aromatic core mutation converts a designed "primitive" protein from halophile to mesophile folding.
Protein Sci., 24, 2015
4QHT
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BU of 4qht by Molmil
Crystal structure of AAA+/ sigma 54 activator domain of the flagellar regulatory protein FlrC from Vibrio cholerae in ATP analog bound state
Descriptor: 1,2-ETHANEDIOL, Flagellar regulatory protein C, MAGNESIUM ION, ...
Authors:Dey, S, Biswas, M, Sen, U, Dasgupta, J.
Deposit date:2014-05-29
Release date:2014-07-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.559 Å)
Cite:Unique ATPase site architecture triggers cis-mediated synchronized ATP binding in heptameric AAA+-ATPase domain of flagellar regulatory protein FlrC
J.Biol.Chem., 290, 2015
4QG4
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BU of 4qg4 by Molmil
Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (H210A) mutant catalytic core
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Koharudin, L.M.I, Wu, Y, DeLucia, M, Mehrens, J, Gronenborn, A.M, Ahn, J.
Deposit date:2014-05-22
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Allosteric Activation of Sterile alpha Motif and Histidine-Aspartate Domain-containing Protein 1 (SAMHD1) by Nucleoside Triphosphates.
J.Biol.Chem., 289, 2014
4QOI
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BU of 4qoi by Molmil
Crystal structure of FMN quinone reductase 2 in complex with melatonin at 1.55A
Descriptor: FLAVIN MONONUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G.
Deposit date:2014-06-20
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of FMN quinone reductase 2 in complex with melatonin at 1.55A
To be Published
4QHH
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BU of 4qhh by Molmil
Crystal structure of Methanocaldococcus jannaschii tetrameric selecase
Descriptor: GLYCEROL, SODIUM ION, Uncharacterized protein MJ1213, ...
Authors:Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X.
Deposit date:2014-05-28
Release date:2014-07-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase
Angew.Chem.Int.Ed.Engl., 53, 2014
4QPB
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BU of 4qpb by Molmil
Catalytic domain of the antimicrobial peptidase lysostaphin from Staphylococcus simulans crystallized in the absence of phosphate
Descriptor: 1,2-ETHANEDIOL, Lysostaphin, ZINC ION
Authors:Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M.
Deposit date:2014-06-22
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans.
Febs J., 281, 2014
4QI0
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BU of 4qi0 by Molmil
X-ray structure of the ROQ domain from murine Roquin-1
Descriptor: 1,2-ETHANEDIOL, Roquin-1
Authors:Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
Deposit date:2014-05-30
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation.
Nat.Struct.Mol.Biol., 21, 2014
4QMC
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BU of 4qmc by Molmil
Crystal structure of complex formed between phospholipase A2 and Biotin-sulfoxide at 1.09 A Resolution
Descriptor: ACETATE ION, BIOTIN-D-SULFOXIDE, GLYCEROL, ...
Authors:Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2014-06-16
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Crystal structure of complex formed between phospholipase A2 and Biotin-sulfoxide at 1.09 A Resolution
To be published
4QO7
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BU of 4qo7 by Molmil
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4QOG
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BU of 4qog by Molmil
Crystal structure of fad quinone reductase 2 in complex with melatonin at 1.4A
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G.
Deposit date:2014-06-20
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of fad quinone reductase 2 in complex with melatonin at 1.4A
To be Published
4QOE
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BU of 4qoe by Molmil
The value 'crystal structure of fad quinone reductase 2 at 1.45A
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G.
Deposit date:2014-06-20
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The value 'crystal structure of fad quinone reductase 2 at 1.45A
To be Published
4QNS
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BU of 4qns by Molmil
Crystal structure of bromodomain from Plasmodium faciparum GCN5, PF3D7_0823300
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase GCN5, ...
Authors:Fonseca, M, Tallant, C, Knapp, S, Loppnau, P, von Delft, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2014-06-18
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Crystal structure of bromodomain from Plasmodium faciparum GCN5, PF3D7_0823300
TO BE PUBLISHED
4QOF
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BU of 4qof by Molmil
Crystal structure of fmn quinone reductase 2 AT 1.55A
Descriptor: FLAVIN MONONUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION
Authors:Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G.
Deposit date:2014-06-20
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of FMN quinone reductase 2 at 1.55A
To be Published
4QPT
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BU of 4qpt by Molmil
Structural Investigation of hnRNP L
Descriptor: Heterogenous nuclear ribonucleoprotein L, PHOSPHATE ION
Authors:Blatter, M, Allain, F.H.-T.
Deposit date:2014-06-25
Release date:2015-05-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:The Signature of the Five-Stranded vRRM Fold Defined by Functional, Structural and Computational Analysis of the hnRNP L Protein.
J.Mol.Biol., 427, 2015
4QQ5
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BU of 4qq5 by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex With FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-06-26
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:DFG-out Mode of Inhibition by an Irreversible Type-1 Inhibitor Capable of Overcoming Gate-Keeper Mutations in FGF Receptors.
Acs Chem.Biol., 10, 2015
4QPF
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BU of 4qpf by Molmil
New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
Authors:Ebetino, F.H, Lundy, M, Kwaasi, A.A, Dunford, J.E, Duan, Z, Triffitt, J, Mazur, A, Jeans, G, Barnett, B.L, Russell, R.G.G.
Deposit date:2014-06-23
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
To be Published
2Z3A
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BU of 2z3a by Molmil
Crystal Structure of Bacillus Subtilis CodW, a non-canonical HslV-like peptidase with an impaired catalytic apparatus
Descriptor: ATP-dependent protease hslV
Authors:Rho, S.H, Park, H.H, Kang, G.B, Lim, Y.J, Kang, M.S, Lim, B.K, Seong, I.S, Chung, C.H, Wang, J, Eom, S.H.
Deposit date:2007-06-03
Release date:2008-03-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of Bacillus subtilis CodW, a noncanonical HslV-like peptidase with an impaired catalytic apparatus
Proteins, 71, 2007
4N1L
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BU of 4n1l by Molmil
Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions
Descriptor: NACHT, LRR and PYD domains-containing protein 14
Authors:Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H.
Deposit date:2013-10-04
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
4MWF
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BU of 4mwf by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core bound to broadly neutralizing antibody AR3C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Kong, L, Wilson, I.A, Law, M.
Deposit date:2013-09-24
Release date:2013-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.645 Å)
Cite:Hepatitis C virus e2 envelope glycoprotein core structure.
Science, 342, 2013

224201

数据于2024-08-28公开中

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