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PDB: 22297 results

1Y2B
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Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester
Descriptor: 1,2-ETHANEDIOL, 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ...
Authors:Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-11-22
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design
Nat.Biotechnol., 23, 2005
6H9N
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Complex of the periplasmic domains of bacterial cell division proteins FtsQ and FtsB
Descriptor: Cell division protein FtsB, Cell division protein FtsQ
Authors:Kureisaite-Ciziene, D, Lowe, J.
Deposit date:2018-08-05
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Analysis of the Interaction between the Bacterial Cell Division Proteins FtsQ and FtsB.
MBio, 9, 2018
5J8I
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Crystal structure of TL11-113 bound to TAK1-TAB1
Descriptor: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Authors:Gurbani, D, Westover, K.D.
Deposit date:2016-04-07
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
6HEJ
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Structure of human USP28
Descriptor: SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 28
Authors:Gersch, M, Komander, D.
Deposit date:2018-08-20
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Distinct USP25 and USP28 Oligomerization States Regulate Deubiquitinating Activity.
Mol.Cell, 74, 2019
1L7Y
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BU of 1l7y by Molmil
Solution NMR Structure of C. elegans Protein ZK652.3. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET WR41.
Descriptor: HYPOTHETICAL PROTEIN ZK652.3
Authors:Cort, J.R, Chiang, Y, Zheng, D, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-03-18
Release date:2002-08-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of conserved eukaryotic protein ZK652.3 from C. elegans: a ubiquitin-like fold.
Proteins, 48, 2002
6HAB
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BU of 6hab by Molmil
Crystal structure of BiP V461F (apo)
Descriptor: DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP
Authors:Yan, Y, Ron, D.
Deposit date:2018-08-07
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP.
Nat Commun, 10, 2019
6HEV
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BU of 6hev by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT061
Descriptor: 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6HB1
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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
1YF1
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BU of 1yf1 by Molmil
Structural and biochemical analysis of the link between enzymatic activity and oligomerization in AhpC, a bacterial peroxiredoxin.
Descriptor: Alkyl hydroperoxide reductase subunit C, SODIUM ION
Authors:Parsonage, D, Youngblood, D.S, Sarma, G.N, Wood, Z.A, Karplus, P.A, Poole, L.B.
Deposit date:2004-12-29
Release date:2005-08-16
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Analysis of the Link between Enzymatic Activity and Oligomeric State in AhpC, a Bacterial Peroxiredoxin.
Biochemistry, 44, 2005
6HCI
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BU of 6hci by Molmil
Crystal structure of titin M3 domain
Descriptor: SULFATE ION, Titin
Authors:Chatziefthimiou, S.D, Ugurlar, D, Wilmanns, M.
Deposit date:2018-08-15
Release date:2019-08-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural diversity in the atomic resolution 3D fingerprint of the titin M-band segment.
Plos One, 14, 2019
5JDB
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BU of 5jdb by Molmil
Binding specificity of P[8] VP8* proteins of rotavirus vaccine strains with histo-blood group antigens
Descriptor: Outer capsid protein VP4
Authors:Sun, X, Guo, N, Li, D, Zhou, Y, Jin, M, Xie, G, Pang, L, Zhang, Q, Cao, Y, Duan, Z.
Deposit date:2016-04-16
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Binding specificity of P[8] VP8* proteins of rotavirus vaccine strains with histo-blood group antigens.
Virology, 495, 2016
6HK4
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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
1XOM
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BU of 1xom by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Cilomilast
Descriptor: 1,2-ETHANEDIOL, CILOMILAST, MAGNESIUM ION, ...
Authors:Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-10-06
Release date:2004-12-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
1K21
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BU of 1k21 by Molmil
HUMAN THROMBIN-INHIBITOR COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ...
Authors:Stubbs, M.T, Musil, D.
Deposit date:2001-09-26
Release date:2002-05-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1XPK
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BU of 1xpk by Molmil
CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS HMG-COA SYNTHASE WITH HMG-CoA AND WITH ACETOACETYL-COA AND ACETYLATED CYSTEINE
Descriptor: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, ...
Authors:Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T.
Deposit date:2004-10-08
Release date:2004-11-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time"
Proc.Natl.Acad.Sci.USA, 47, 2004
5JFX
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BU of 5jfx by Molmil
Crystal structure of TrkA in complex with PF-06273340
Descriptor: High affinity nerve growth factor receptor, N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide
Authors:Jayasankar, J, Kurumbail, R, Skerratt, S, Brown, D.
Deposit date:2016-04-19
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.
J. Med. Chem., 59, 2016
1JU6
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BU of 1ju6 by Molmil
Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PHOSPHATE ION, ...
Authors:Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
Deposit date:2001-08-23
Release date:2001-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
6TT9
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BU of 6tt9 by Molmil
rTBL Recombinant Lectin From Tepary Bean
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HEXANE, ...
Authors:Martinez Alarcon, D, Varrot, A.
Deposit date:2019-12-26
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Recombinant Lectin from Tepary Bean (Phaseolus acutifolius) with Specific Recognition for Cancer-Associated Glycans: Production, Structural Characterization, and Target Identification.
Biomolecules, 10, 2020
6HN3
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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
6HZZ
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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
1JTU
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E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE
Authors:Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
Deposit date:2001-08-22
Release date:2001-09-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
5JK4
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Phosphate-Binding Protein from Stenotrophomonas maltophilia.
Descriptor: Alkaline phosphatase, PHOSPHATE ION
Authors:Keegan, R, Waterman, D, Hopper, D, Coates, L, Guo, J, Coker, A.R, Erskine, P.T, Wood, S.P, Cooper, J.B.
Deposit date:2016-04-25
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The 1.1 angstrom resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank.
Acta Crystallogr D Struct Biol, 72, 2016
6HB2
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Structure of Hgh1, crystal form I, Selenomethionine derivative
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:2019-04-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Chaperone Function of Hgh1 in the Biogenesis of Eukaryotic Elongation Factor 2.
Mol.Cell, 74, 2019
1JZO
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DsbC C101S
Descriptor: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBC
Authors:Haebel, P.W, Goldstone, D, Katzen, F, Beckwith, J, Metcalf, P.
Deposit date:2001-09-17
Release date:2003-03-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The Disulfide Bond Isomerase DsbC is Activated by an Immunoglobulin-fold Thiol Oxidoreductase: Crystal Structure of the DsbC-DsbDalpha complex.
Embo J., 21, 2002
6TPV
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BU of 6tpv by Molmil
Crystal structures of FNIII domain one and two of the human leucocyte common antigen-related protein, LAR
Descriptor: IMIDAZOLE, Receptor-type tyrosine-protein phosphatase F
Authors:Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D.
Deposit date:2019-12-14
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal and solution structures of fragments of the human leucocyte common antigen-related protein.
Acta Crystallogr D Struct Biol, 76, 2020

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