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8SHI
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BU of 8shi by Molmil
Valpha3S1 Vbeta13S1 HLA C 0602 VRSRRCLRL
Descriptor: Beta-2-microglobulin, MHC class I antigen (Fragment), T cell receptor alpha, ...
Authors:Littler, D.R, Anand, S, Vivian, J.P, Rossjohn, J.
Deposit date:2023-04-14
Release date:2023-06-28
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.90001726 Å)
Cite:Complimentary electrostatics dominate T-cell receptor binding to a psoriasis-associated peptide antigen presented by human leukocyte antigen C∗06:02.
J.Biol.Chem., 299, 2023
8SGD
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BU of 8sgd by Molmil
Crystal Structure of CDC3(G) - CDC10(Delta 1-10) heterocomplex from Saccharomyces cerevisiae
Descriptor: CDC10 isoform 1, CDC3 isoform 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Saladino, G.C.R, Leonardo, D.A, Pereira, H.M, Garratt, R.C.
Deposit date:2023-04-12
Release date:2023-06-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:A key piece of the puzzle: The central tetramer of the Saccharomyces cerevisiae septin protofilament and its implications for self-assembly.
J.Struct.Biol., 215, 2023
3MS9
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BU of 3ms9 by Molmil
ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, Tyrosine-protein kinase ABL1, ...
Authors:Cowan-Jacob, S.W, Rummel, G, Fendrich, G.
Deposit date:2010-04-29
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.
J.Am.Chem.Soc., 132, 2010
8RC0
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BU of 8rc0 by Molmil
Structure of the human 20S U5 snRNP
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, CD2 antigen cytoplasmic tail-binding protein 2, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Schneider, S, Galej, W.P.
Deposit date:2023-12-05
Release date:2024-03-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the human 20S U5 snRNP.
Nat.Struct.Mol.Biol., 31, 2024
3MSS
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BU of 3mss by Molmil
Abl kinase in complex with imatinib and fragment (FRAG2) in the myristate site
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, O-benzyl-N-methyl-L-tyrosinamide, Tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Rummel, G, Fendrich, G.
Deposit date:2010-04-29
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.
J.Am.Chem.Soc., 132, 2010
8Q91
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BU of 8q91 by Molmil
Structure of the human 20S U5 snRNP core
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, CD2 antigen cytoplasmic tail-binding protein 2, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Schneider, S, Galej, W.P.
Deposit date:2023-08-19
Release date:2024-03-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the human 20S U5 snRNP.
Nat.Struct.Mol.Biol., 31, 2024
1JVP
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BU of 1jvp by Molmil
Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365
Descriptor: 3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole, Cell division protein kinase 2
Authors:Rondeau, J.M.
Deposit date:2001-08-31
Release date:2001-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structure-based design and protein X-ray analysis of a protein kinase inhibitor.
Bioorg.Med.Chem.Lett., 12, 2002
6SZB
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BU of 6szb by Molmil
MoxR AAA-ATPase RavA, spiral open ring conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, RavA + Mg-ADP
Authors:Jessop, M, Felix, J, Gutsche, I.
Deposit date:2019-10-02
Release date:2020-02-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex.
Commun Biol, 3, 2020
6SZA
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BU of 6sza by Molmil
MoxR AAA-ATPase RavA, C2-symmetric closed ring conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, RavA
Authors:Jessop, M, Felix, J, Gutsche, I.
Deposit date:2019-10-02
Release date:2020-02-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex.
Commun Biol, 3, 2020
1LKT
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BU of 1lkt by Molmil
CRYSTAL STRUCTURE OF THE HEAD-BINDING DOMAIN OF PHAGE P22 TAILSPIKE PROTEIN
Descriptor: TAILSPIKE PROTEIN
Authors:Steinbacher, S.
Deposit date:1997-10-17
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Phage P22 tailspike protein: crystal structure of the head-binding domain at 2.3 A, fully refined structure of the endorhamnosidase at 1.56 A resolution, and the molecular basis of O-antigen recognition and cleavage.
J.Mol.Biol., 267, 1997
6Q7M
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BU of 6q7m by Molmil
Spiral structure of E. coli RavA in the RavA-LdcI cage-like complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase RavA, Inducible lysine decarboxylase, ...
Authors:Arragain, B, Felix, J, Malet, H, Gutsche, I, Jessop, M.
Deposit date:2018-12-13
Release date:2020-02-12
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex.
Commun Biol, 3, 2020
6Q7L
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BU of 6q7l by Molmil
Spiral structure of E. coli RavA in the RavA-LdcI cage-like complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase RavA, Inducible lysine decarboxylase, ...
Authors:Arragain, B, Felix, J, Malet, H, Gutsche, I, Jessop, M.
Deposit date:2018-12-13
Release date:2020-02-12
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex.
Commun Biol, 3, 2020
6HLF
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BU of 6hlf by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant - K32A
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase
Authors:Hermann, J, Nowotny, P, Schneider, S, Hekmat, D, Weuster-Botz, D.
Deposit date:2018-09-11
Release date:2018-12-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Rational Crystal Contact Engineering of Lactobacillus brevis Alcohol Dehydrogenase To Promote Technical Protein Crystallization
Cryst.Growth Des., 2019
6I2I
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BU of 6i2i by Molmil
Refined 13pf Hela Cell Tubulin microtubule (EML4-NTD decorated)
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Atherton, J.M, Moores, C.A.
Deposit date:2018-11-01
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mitotic phosphorylation by NEK6 and NEK7 reduces the microtubule affinity of EML4 to promote chromosome congression.
Sci.Signal., 12, 2019
6I4B
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BU of 6i4b by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) co-crystallized with 3-Hydroxy-1-methyl-5-((3-(trifluoromethyl)phenoxy)methyl)-1H-pyrazole-4-carboxylic acid
Descriptor: 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Goyal, P, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S.
Deposit date:2018-11-09
Release date:2018-12-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies.
Eur J Med Chem, 163, 2018
6I55
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BU of 6i55 by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) co-crystallized with N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide
Descriptor: Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide, ...
Authors:Goyal, P, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S.
Deposit date:2018-11-12
Release date:2018-12-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies.
Eur J Med Chem, 163, 2018
3QM0
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BU of 3qm0 by Molmil
Crystal structure of RTT109-AC-CoA complex
Descriptor: ACETYL COENZYME *A, Histone acetyltransferase RTT109, MERCURY (II) ION
Authors:Tang, Y, Marmorstein, R.
Deposit date:2011-02-03
Release date:2011-02-16
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Fungal Rtt109 histone acetyltransferase is an unexpected structural homolog of metazoan p300/CBP.
Nat.Struct.Mol.Biol., 15, 2008
3QQP
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BU of 3qqp by Molmil
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Urea Inhibitor
Descriptor: 3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Loenze, P, Schimanski-Breves, S, Engel, C.K.
Deposit date:2011-02-16
Release date:2012-02-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11beta-hydroxysteroid-dehydrogenase type 1.
Bioorg.Med.Chem.Lett., 21, 2011
2ALE
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BU of 2ale by Molmil
Crystal structure of yeast RNA splicing factor Snu13p
Descriptor: MAGNESIUM ION, NHP2/L7aE family protein YEL026W
Authors:Dobbyn, H.C, McEwan, P.A, Bella, J, O'Keefe, R.T.
Deposit date:2005-08-05
Release date:2006-10-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Analysis of pre-mRNA and pre-rRNA processing factor Snu13p structure and mutants.
Biochem.Biophys.Res.Commun., 360, 2007
2M8O
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BU of 2m8o by Molmil
NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in DPC
Descriptor: Transmembrane protein gp41
Authors:Serrano, S, Huarte, N, Nieva, J.L, Jimenez, M.
Deposit date:2013-05-23
Release date:2014-01-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope: IMPLICATIONS FOR ANTIBODY RECOGNITION MECHANISM AND IMMUNOGEN DESIGN.
J.Biol.Chem., 289, 2014
2M8M
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BU of 2m8m by Molmil
NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of hexafluoroisopropanol
Descriptor: Transmembrane protein gp41
Authors:Serrano, S, Huarte, N, Nieva, J.L, Jimenez, M.
Deposit date:2013-05-23
Release date:2014-01-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope: IMPLICATIONS FOR ANTIBODY RECOGNITION MECHANISM AND IMMUNOGEN DESIGN.
J.Biol.Chem., 289, 2014
1TZE
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BU of 1tze by Molmil
SIGNAL TRANSDUCTION ADAPTOR GROWTH FACTOR, GRB2 SH2 DOMAIN COMPLEXED WITH PHOSPHOTYROSYL HEPTAPEPTIDE LYS-PRO-PHE-PTYR-VAL-ASN-VAL-NH2 (KFPPYVNC-NH2)
Descriptor: GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, PHOSPHOTYROSYL HEPTAPEPTIDE LYS-PRO-PHE-PTYR-VAL-ASN-VAL-NH2
Authors:Rahuel, J, Grutter, M.G.
Deposit date:1996-06-06
Release date:1997-07-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for specificity of Grb2-SH2 revealed by a novel ligand binding mode.
Nat.Struct.Biol., 3, 1996
1YM4
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BU of 1ym4 by Molmil
Crystal structure of human beta secretase complexed with NVP-AMK640
Descriptor: Beta-secretase 1, NVP-AMK640 INHIBITOR
Authors:Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S.
Deposit date:2005-01-20
Release date:2006-01-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
1YM2
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BU of 1ym2 by Molmil
Crystal structure of human beta secretase complexed with NVP-AUR200
Descriptor: Beta-secretase 1, NVP-AUR200 INHIBITOR
Authors:Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S.
Deposit date:2005-01-20
Release date:2006-01-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
1ZFP
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BU of 1zfp by Molmil
GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PENTAPEPTIDE
Descriptor: EPIDERMAL GROWTH FACTOR RECEPTOR-DERIVED PEPTIDE, GROWTH FACTOR RECEPTOR BINDING PROTEIN, ZINC ION
Authors:Rahuel, J.
Deposit date:1998-03-26
Release date:1999-03-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the high affinity of amino-aromatic SH2 phosphopeptide ligands.
J.Mol.Biol., 279, 1998

223532

数据于2024-08-07公开中

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