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PDB: 17801 results

4QSW
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BU of 4qsw by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 5-methyl uridine
Descriptor: 1,2-ETHANEDIOL, 5-methyluridine, ATPase family AAA domain-containing protein 2, ...
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-06
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
4QRB
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BU of 4qrb by Molmil
Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation
Descriptor: GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, L,d-transpeptidase LdtB
Authors:Gokulan, K, Varughese, K.I.
Deposit date:2014-06-30
Release date:2015-12-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation
To be Published
6IK9
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BU of 6ik9 by Molmil
HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:dGTP ternary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2018-10-15
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.435 Å)
Cite:Active-site deformation in the structure of HIV-1 RT with HBV-associated septuple amino acid substitutions rationalizes the differential susceptibility of HIV-1 and HBV against 4'-modified nucleoside RT inhibitors.
Biochem. Biophys. Res. Commun., 509, 2019
4N34
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BU of 4n34 by Molmil
Structure of langerin CRD I313 with alpha-MeGlcNAc
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Authors:Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E.
Deposit date:2013-10-06
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
3NSB
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BU of 3nsb by Molmil
Structure of bacteriorhodopsin ground state before and after X-ray modification
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Borshchevskiy, V.I.
Deposit date:2010-07-01
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:X-ray-Radiation-Induced Changes in Bacteriorhodopsin Structure.
J.Mol.Biol., 409, 2011
7KVP
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BU of 7kvp by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
Authors:Sevrioukova, I.
Deposit date:2020-11-28
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength.
Int J Mol Sci, 22, 2021
3C2I
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BU of 3c2i by Molmil
The Crystal Structure of Methyl-CpG Binding Domain of Human MeCP2 in Complex with a Methylated DNA Sequence from BDNF
Descriptor: DNA (5'-D(*DAP*DTP*DAP*DGP*DAP*DAP*DGP*DAP*DAP*DTP*DTP*DCP*(5CM)P*DGP*DTP*DTP*DCP*DCP*DAP*DG)-3'), DNA (5'-D(*DTP*DCP*DTP*DGP*DGP*DAP*DAP*(5CM)P*DGP*DGP*DAP*DAP*DTP*DTP*DCP*DTP*DTP*DCP*DTP*DA)-3'), Methyl-CpG-binding protein 2
Authors:Ho, K.L, McNae, I.W, Schmiedeberg, L, Klose, R.J, Bird, A.P, Walkinshaw, M.D.
Deposit date:2008-01-25
Release date:2008-05-13
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:MeCP2 binding to DNA depends upon hydration at methyl-CpG
Mol.Cell, 29, 2008
1WY7
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BU of 1wy7 by Molmil
crystal structure of a putative RNA methyltransferase PH1948 from Pyrococcus horikoshii
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, hypothetical protein PH1948
Authors:Gao, Y.G, Yao, M, Tanaka, I.
Deposit date:2005-02-08
Release date:2005-12-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the putative RNA methyltransferase PH1948 from Pyrococcus horikoshii, in complex with the copurified S-adenosyl-L-homocysteine
Proteins, 61, 2005
4R9W
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BU of 4r9w by Molmil
Crystal structure of platelet factor 4 complexed with fondaparinux
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Platelet factor 4
Authors:Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
Deposit date:2014-09-08
Release date:2015-12-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
3F58
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BU of 3f58 by Molmil
IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 12-RESIDUE CYCLIC PEPTIDE (INCLUDING RESIDUES 315-324 OF HIV-1 GP120 (MN ISOLATE); H315S MUTATION
Descriptor: PROTEIN (CYCLIC PEPTIDE (GP120)), PROTEIN (IMMUNOGLOBULIN GAMMA I (58.2))
Authors:Stanfield, R.L, Cabezas, E, Satterthwait, A.C, Stura, E.A, Profy, A.T, Wilson, I.A.
Deposit date:1998-10-23
Release date:1999-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dual conformations for the HIV-1 gp120 V3 loop in complexes with different neutralizing fabs.
Structure Fold.Des., 7, 1999
2KA5
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BU of 2ka5 by Molmil
NMR Structure of the protein TM1081
Descriptor: Putative anti-sigma factor antagonist TM_1081
Authors:Serrano, P, Geralt, M, Mohanty, B, Pedrini, B, Horst, R, Wuthrich, K, Wilson, I, Joint Center for Structural Genomics (JCSG)
Deposit date:2008-10-30
Release date:2008-11-25
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Comparison of NMR and crystal structures highlights conformational isomerism in protein active sites.
Acta Crystallogr.,Sect.F, 66, 2010
1SG2
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BU of 1sg2 by Molmil
Crystal structure of the periplasmic chaperone Skp
Descriptor: Seventeen Kilodalton Protein
Authors:Korndorfer, I.P, Dommel, M.K, Skerra, A.
Deposit date:2004-02-23
Release date:2004-09-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the periplasmic chaperone Skp suggests functional similarity with cytosolic chaperones despite differing architecture.
Nat.Struct.Mol.Biol., 11, 2004
2KIJ
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BU of 2kij by Molmil
Solution structure of the Actuator domain of the copper-transporting ATPase ATP7A
Descriptor: Copper-transporting ATPase 1
Authors:Banci, L, Bertini, I, Cantini, F, Migliardi, M, Nushi, F, Natile, G, Rosato, A.
Deposit date:2009-05-06
Release date:2009-08-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of the actuator domain of ATP7A and ATP7B, the Menkes and Wilson disease proteins
Biochemistry, 48, 2009
8T9Y
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BU of 8t9y by Molmil
Structure of VHH-Fab complex with engineered Elbow FNQIKG and Crystal Kappa regions
Descriptor: DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain, ...
Authors:Filippova, E.V, Thompson, I, Kossiakoff, A.A.
Deposit date:2023-06-26
Release date:2023-11-29
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
5Y9T
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BU of 5y9t by Molmil
Crystal Structure of EGFR T790M mutant in complex with naquotinib
Descriptor: 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor
Authors:Mimasu, S, Tomimoto, Y, Maiko, I, Yasushi, A, Tatsuya, N.
Deposit date:2017-08-28
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Pharmacological and Structural Characterizations of Naquotinib, a Novel Third-Generation EGFR Tyrosine Kinase Inhibitor, inEGFR-Mutated Non-Small Cell Lung Cancer.
Mol. Cancer Ther., 17, 2018
1SL4
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BU of 1sl4 by Molmil
Crystal Structure of DC-SIGN carbohydrate recognition domain complexed with Man4
Descriptor: CALCIUM ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose, mDC-SIGN1B type I isoform
Authors:Guo, Y, Feinberg, H, Conroy, E, Mitchell, D.A, Alvarez, R, Blixt, O, Taylor, M.E, Weis, W.I, Drickamer, K.
Deposit date:2004-03-05
Release date:2004-06-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for distinct ligand-binding and targeting properties of the receptors DC-SIGN and DC-SIGNR
Nat.Struct.Mol.Biol., 11, 2004
3C9X
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BU of 3c9x by Molmil
Crystal structure of Trichoderma reesei aspartic proteinase
Descriptor: GLYCEROL, Trichoderma reesei Aspartic protease
Authors:Nascimento, A.S, Krauchenco, S, Golubev, A.M, Gustchina, A, Wlodawer, A, Polikarpov, I.
Deposit date:2008-02-19
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Statistical coupling analysis of aspartic proteinases based on crystal structures of the Trichoderma reesei enzyme and its complex with pepstatin A.
J.Mol.Biol., 382, 2008
1SPH
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BU of 1sph by Molmil
REFINED STRUCTURES OF THE ACTIVE S83C AND IMPAIRED S46D HPRS: EVIDENCE THAT PHOSPHORYLATION DOES NOT REQUIRE A BACKBONE CONFORMATIONAL TRANSITION
Descriptor: HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR
Authors:Liao, D.-I, Herzberg, O.
Deposit date:1994-11-03
Release date:1995-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined structures of the active Ser83-->Cys and impaired Ser46-->Asp histidine-containing phosphocarrier proteins.
Structure, 2, 1994
3FNK
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BU of 3fnk by Molmil
Crystal structure of the second type II cohesin module from the cellulosomal adaptor ScaA scaffoldin of Acetivibrio cellulolyticus
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 1,4-BUTANEDIOL, ...
Authors:Noach, I, Frolow, F, Bayer, E.A.
Deposit date:2008-12-25
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Intermodular Linker Flexibility Revealed from Crystal Structures of Adjacent Cellulosomal Cohesins of Acetivibrio cellulolyticus
J.Mol.Biol., 391, 2009
4NRK
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BU of 4nrk by Molmil
Structure of hemagglutinin with F95Y mutation of influenza virus B/Lee/40 complex with LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Ni, F, Mbawuike, I.N, Kondrashkina, E, Wang, Q.
Deposit date:2013-11-26
Release date:2014-03-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:The roles of hemagglutinin Phe-95 in receptor binding and pathogenicity of influenza B virus.
Virology, 450-451, 2014
4QX3
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BU of 4qx3 by Molmil
Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data with the CrystFEL software suite
Descriptor: Pesticidal crystal protein cry3Aa
Authors:Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D.
Deposit date:2014-07-17
Release date:2014-08-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Proc.Natl.Acad.Sci.USA, 111, 2014
5YP4
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BU of 5yp4 by Molmil
Crystal structure of dipeptidyl peptidase IV (DPP IV) with Lys-Pro from Pseudoxanthomonas mexicana WO24
Descriptor: Dipeptidyl aminopeptidase 4, GLYCEROL, LYSINE, ...
Authors:Roppongi, S, Suzuki, Y, Tateoka, C, Fuimoto, M, Morisawa, S, Iizuka, I, Nakamura, A, Honma, N, Shida, Y, Ogasawara, W, Tanaka, N, Sakamoto, Y, Nonaka, T.
Deposit date:2017-11-01
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of a bacterial dipeptidyl peptidase IV reveal a novel substrate recognition mechanism distinct from that of mammalian orthologues.
Sci Rep, 8, 2018
4R0R
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BU of 4r0r by Molmil
Ebolavirus GP Prehairpin Intermediate Mimic
Descriptor: eboIZN21
Authors:Clinton, T.R, Weinstock, M.T, Jacobsen, M.T, Szabo-Fresnais, N, Pandya, M.J, Whitby, F.G, Herbert, A.S, Prugar, L.I, McKinnon, R, Hill, C.P, Welch, B.D, Dye, J.M, Eckert, D.M, Kay, M.S.
Deposit date:2014-08-01
Release date:2014-10-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design and characterization of ebolavirus GP prehairpin intermediate mimics as drug targets.
Protein Sci., 24, 2015
8TJ4
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BU of 8tj4 by Molmil
CRYSTAL STRUCTURE OF THE A/Bangkok/1/1979(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
7KSA
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BU of 7ksa by Molmil
Crystal structure of human CYP3A4 with the caged inhibitor
Descriptor: (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.S.
Deposit date:2020-11-21
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4.
J.Am.Chem.Soc., 143, 2021

223532

数据于2024-08-07公开中

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