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PDB: 42550 results

6BP0
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BU of 6bp0 by Molmil
Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor
Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J, Structural Genomics Consortium (SGC)
Deposit date:2017-11-21
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor
To Be Published
6BQG
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Crystal structure of 5-HT2C in complex with ergotamine
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine
Authors:Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z.
Deposit date:2017-11-27
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6BPR
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BU of 6bpr by Molmil
Crystal structure of cysteine, nitric oxide-bound ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION, ...
Authors:Liu, A, Li, J, Shin, I.
Deposit date:2017-11-26
Release date:2019-04-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Probing the Cys-Tyr Cofactor Biogenesis in Cysteine Dioxygenase by the Genetic Incorporation of Fluorotyrosine.
Biochemistry, 58, 2019
6G13
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BU of 6g13 by Molmil
C-terminal domain of MERS-CoV nucleocapsid
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Nucleoprotein, ...
Authors:Nguyen, T.H.V, Ferron, F.P, Lichiere, J, Canard, B, Papageorgiou, N, Coutard, B.
Deposit date:2018-03-20
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure and oligomerization state of the C-terminal region of the Middle East respiratory syndrome coronavirus nucleoprotein.
Acta Crystallogr D Struct Biol, 75, 2019
3D7D
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BU of 3d7d by Molmil
A high resolution crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DCFBD, a urea-based 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, CALCIUM ION, ...
Authors:Lubkowski, J, Barinka, C.
Deposit date:2008-05-21
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
J.Med.Chem., 51, 2008
6FUI
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BU of 6fui by Molmil
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
Descriptor: (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid, Complement factor D
Authors:Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S.
Deposit date:2018-02-27
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
3CNE
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BU of 3cne by Molmil
Crystal structure of the putative protease I from Bacteroides thetaiotaomicron
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, Putative protease I, ...
Authors:Zhang, R, Volkart, L, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-25
Release date:2008-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The crystal structure of the putative protease I from Bacteroides thetaiotaomicron.
To be Published
6BWT
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BU of 6bwt by Molmil
2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase from Francisella tularensis.
Descriptor: CHLORIDE ION, SULFATE ION, Thioredoxin reductase
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-12-15
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase from Francisella tularensis.
To Be Published
6G43
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BU of 6g43 by Molmil
Crystal structure of SeMet-labeled mavirus major capsid protein lacking the C-terminal domain
Descriptor: Putative major capsid protein
Authors:Born, D, Reuter, L, Meinhart, A, Reinstein, J.
Deposit date:2018-03-26
Release date:2018-07-04
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Capsid protein structure, self-assembly, and processing reveal morphogenesis of the marine virophage mavirus.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3CPQ
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BU of 3cpq by Molmil
Crystal Structure of L30e a ribosomal protein from Methanocaldococcus jannaschii DSM2661 (MJ1044)
Descriptor: 50S ribosomal protein L30e
Authors:Jeyakanthan, J, Sarani, R, Mridula, P, Sekar, K, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-04-01
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of L30e a ribosomal protein from Methanocaldococcus jannaschii DSM2661 (MJ1044)
To be Published
6BXF
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BU of 6bxf by Molmil
Crystal structure of an extended b3 integrin L33
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ...
Authors:Zhou, D, Zhu, J.
Deposit date:2017-12-18
Release date:2018-08-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of an extended beta3integrin.
Blood, 132, 2018
5O5D
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BU of 5o5d by Molmil
Cellobiohydrolase Cel7A from T. atroviride
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Borisova, A.S, Stahlberg, J, Hansson, H.
Deposit date:2017-06-01
Release date:2018-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Correlation of structure, function and protein dynamics in GH7 cellobiohydrolases from Trichoderma atroviride, T. reesei and T. harzianum.
Biotechnol Biofuels, 11, 2018
3CQA
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BU of 3cqa by Molmil
Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ala and Lys101Ala
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M.
Deposit date:2008-04-02
Release date:2009-04-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
3CQD
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BU of 3cqd by Molmil
Structure of the tetrameric inhibited form of phosphofructokinase-2 from Escherichia coli
Descriptor: 6-phosphofructokinase isozyme 2, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Ambrosio, A.L, Cabrera, R, Caniuguir, A, Garratt, R.C, Babul, J.
Deposit date:2008-04-02
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystallographic structure of phosphofructokinase-2 from Escherichia coli in complex with two ATP molecules. Implications for substrate inhibition.
J.Mol.Biol., 383, 2008
3CTF
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BU of 3ctf by Molmil
Crystal structure of oxidized GRX2
Descriptor: Glutaredoxin-2
Authors:Yu, J, Teng, Y.B, Zhou, C.Z.
Deposit date:2008-04-14
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the different activities of yeast Grx1 and Grx2.
Biochim.Biophys.Acta, 1804, 2010
3CTV
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BU of 3ctv by Molmil
Crystal structure of central domain of 3-hydroxyacyl-CoA dehydrogenase from Archaeoglobus fulgidus
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, SULFATE ION
Authors:Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-04-14
Release date:2008-04-29
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:X-ray crystal structure of central domain of 3-hydroxyacyl-CoA dehydrogenase from Archaeoglobus fulgidus.
To be Published
3CWI
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BU of 3cwi by Molmil
Crystal structure of thiamine biosynthesis protein (ThiS) from Geobacter metallireducens. Northeast Structural Genomics Consortium Target GmR137
Descriptor: Thiamine-biosynthesis protein ThiS
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Mao, L, Janjua, H, Xiao, R, Maglaqui, M, Ciccosanti, C, Foote, E.L, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-04-21
Release date:2008-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of thiamine biosynthesis protein (ThiS) from Geobacter metallireducens.
To be Published
3CZB
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BU of 3czb by Molmil
Crystal structure of putative transglycosylase from Caulobacter crescentus
Descriptor: Putative transglycosylase, SULFATE ION
Authors:Ramagopal, U.A, Chattopadhyay, K, Toro, R, Wasserman, S, Freeman, J, Logan, C, Bain, K, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-04-28
Release date:2008-06-10
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of putative transglycosylase from Caulobacter crescentus.
To be Published
6BSS
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BU of 6bss by Molmil
JAK2 JH2 in complex with NU6102
Descriptor: GLYCEROL, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, Tyrosine-protein kinase JAK2
Authors:Puleo, D.E, Schlessinger, J.
Deposit date:2017-12-04
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:JAK2 JH2 Binders
To Be Published
3CZQ
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BU of 3czq by Molmil
Crystal structure of putative polyphosphate kinase 2 from Sinorhizobium meliloti
Descriptor: FORMIC ACID, GLYCEROL, Putative polyphosphate kinase 2
Authors:Osipiuk, J, Evdokimova, E, Nocek, B, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-04-29
Release date:2008-07-01
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Polyphosphate-dependent synthesis of ATP and ADP by the family-2 polyphosphate kinases in bacteria.
Proc.Natl.Acad.Sci.USA, 105, 2008
2FV7
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BU of 2fv7 by Molmil
Crystal structure of human ribokinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribokinase, ...
Authors:Rabeh, W.M, Tempel, W, Nedyalkova, L, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-01-30
Release date:2006-02-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human ribokinase
to be published
6FH5
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BU of 6fh5 by Molmil
PI3Kg IN COMPLEX WITH Compound 7
Descriptor: 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Petersen, J, Barlaam, B.
Deposit date:2018-01-12
Release date:2019-01-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery and Optimisation of a Novel Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent and Selective Ataxia Telangiectasia Mutated (ATM) inhibitors
To Be Published
5O7M
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BU of 5o7m by Molmil
Single-shot pink beam serial crystallography: Phycocyanin (One chip, chip_1)
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
Authors:Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I.
Deposit date:2017-06-09
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Pink-beam serial crystallography.
Nat Commun, 8, 2017
1F8G
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BU of 1f8g by Molmil
THE X-RAY STRUCTURE OF NICOTINAMIDE NUCLEOTIDE TRANSHYDROGENASE FROM RHODOSPIRILLUM RUBRUM COMPLEXED WITH NAD+
Descriptor: NICOTINAMIDE NUCLEOTIDE TRANSHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Buckley, P.A, Baz Jackson, J, Schneider, T, White, S.A, Rice, D.W, Baker, P.J.
Deposit date:2000-06-30
Release date:2001-06-30
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein-protein recognition, hydride transfer and proton pumping in the transhydrogenase complex.
Structure Fold.Des., 8, 2000
5NSG
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BU of 5nsg by Molmil
Fc DEDE homodimer variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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, ACETATE ION, Putative uncharacterized protein DKFZp686C11235, ...
Authors:De Nardis, C, Hendriks, L.J.A, Poirier, E, Arvinte, T, Gros, P, Bakker, A.B.H, de Kruif, J.
Deposit date:2017-04-26
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A new approach for generating bispecific antibodies based on a common light chain format and the stable architecture of human immunoglobulin G1.
J. Biol. Chem., 292, 2017

224004

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