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3MRQ
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BU of 3mrq by Molmil
Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant
Descriptor: 10-meric peptide from Melanoma antigen recognized by T-cells 1, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D.
Deposit date:2010-04-29
Release date:2011-05-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant
To be Published
4UXE
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BU of 4uxe by Molmil
Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, P21 selenomethionine crystal
Descriptor: GLYCEROL, LARGE TAIL FIBER PROTEIN P34
Authors:Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J.
Deposit date:2014-08-22
Release date:2015-08-19
Last modified:2017-07-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34.
Viruses, 9, 2017
3MF2
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BU of 3mf2 by Molmil
Crystal structure of class II aaRS homologue (Bll0957) complexed with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Bll0957 protein, GLYCEROL, ...
Authors:Weygand-Durasevic, I, Mocibob, M, Ivic, N, Bilokapic, S, Maier, T, Luic, M, Ban, N.
Deposit date:2010-04-01
Release date:2010-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
3MH3
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BU of 3mh3 by Molmil
Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-04-07
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
7XGW
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BU of 7xgw by Molmil
Apo structure of LW domain from Trypanosoma brucei
Descriptor: Transcription elongation factor s-II
Authors:Liao, S, Gao, J, Chen, M, Tu, X.
Deposit date:2022-04-06
Release date:2023-05-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
3VTB
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BU of 3vtb by Molmil
Crystal structure of rat vitamin D receptor bound to a partial agonist 25-adamantyl-23-yne-19-norvitammin D ADTK1
Descriptor: (1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N.
Deposit date:2012-05-26
Release date:2013-06-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor.
J.Med.Chem., 2014
3MH2
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BU of 3mh2 by Molmil
Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-04-07
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
3MRI
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BU of 3mri by Molmil
Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide G4M-V5W variant
Descriptor: 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D.
Deposit date:2010-04-29
Release date:2011-05-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide G4M-V5W variant
To be Published
3VRK
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BU of 3vrk by Molmil
Crystal Structutre of Thiobacillus thioparus THI115 Carbonyl Sulfide Hydrolase / Thiocyanate complex
Descriptor: Carbonyl sulfide hydrolase, SODIUM ION, THIOCYANATE ION, ...
Authors:Katayama, Y, Noguchi, K, Ogawa, T, Ohtaki, A, Odaka, M, Yohda, M.
Deposit date:2012-04-11
Release date:2013-02-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Carbonyl Sulfide Hydrolase from Thiobacillus thioparus Strain THI115 Is One of the beta-Carbonic Anhydrase Family Enzymes
J.Am.Chem.Soc., 135, 2013
3VHX
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BU of 3vhx by Molmil
The crystal structure of Arf6-MKLP1 (Mitotic kinesin-like protein 1) complex
Descriptor: ADP-ribosylation factor 6, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Makyio, H, Takei, T, Ohgi, H, Takahashi, S, Takatsu, H, Ueda, T, Kanaho, Y, Xie, Y, Shin, H.W, Kamikubo, H, Kataoka, M, Kawasaki, M, Kato, R, Wakatsuki, S, Nakayama, K.
Deposit date:2011-09-12
Release date:2012-05-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural basis for Arf6-MKLP1 complex formation on the Flemming body responsible for cytokinesis
Embo J., 31, 2012
3VTC
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BU of 3vtc by Molmil
Crystal structure of rat vitamin D receptor bound to a partial agonist 26-adamantyl-23-yne-19-norvitammin D ADTK3
Descriptor: (1R,3R,7E,17beta)-17-{(2R,6R)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 1,2-ETHANEDIOL, COACTIVATOR PEPTIDE DRIP, ...
Authors:Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N.
Deposit date:2012-05-26
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor.
J.Med.Chem., 2014
3MEY
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BU of 3mey by Molmil
Crystal structure of class II aaRS homologue (Bll0957) complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bll0957 protein, MAGNESIUM ION, ...
Authors:Weygand-Durasevic, I, Mocibob, M, Ivic, N, Bilokapic, S, Maier, T, Luic, M, Ban, N.
Deposit date:2010-04-01
Release date:2010-07-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
8YHR
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BU of 8yhr by Molmil
DHODH in complex with furocoumavirin
Descriptor: 4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Hara, K, Okumura, H, Nakahara, M, Sato, M, Hashimoto, H, Osada, H, Watanabe, K.
Deposit date:2024-02-28
Release date:2024-05-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Analyses of Inhibition of Human Dihydroorotate Dehydrogenase by Antiviral Furocoumavirin.
Biochemistry, 63, 2024
2FQD
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BU of 2fqd by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
5LL7
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BU of 5ll7 by Molmil
Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor.
Descriptor: (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Beta-lactamase
Authors:Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L.
Deposit date:2016-07-26
Release date:2018-02-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance.
Chemmedchem, 13, 2018
2FOI
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BU of 2foi by Molmil
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase.
Descriptor: 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
Authors:Freundlich, J.S, Shieh, H, Anderson, J.W, Kuo, M, Yu, M, Valderramos, J, Karagyozov, L, Tsai, H, Lucumi, E, Jacobs Jr, W.R, Schiehser, G.A, Jacobus, D.P, Fidock, D.A, Sacchettini, J.C.
Deposit date:2006-01-13
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray Structural Analysis of Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase as a Pathway toward the Optimization of Triclosan Antimalarial Efficacy.
J.Biol.Chem., 282, 2007
5LNM
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BU of 5lnm by Molmil
Crystal structure of D1050E mutant of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana
Descriptor: Histidine kinase CKI1
Authors:Otrusinova, O, Demo, G, Kaderavek, P, Jansen, S, Jasenakova, Z, Pekarova, B, Janda, L, Wimmerova, M, Hejatko, J, Zidek, L.
Deposit date:2016-08-05
Release date:2017-09-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana.
J. Biol. Chem., 292, 2017
9C0Y
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BU of 9c0y by Molmil
Clathrin terminal domain complexed with Pitstop 2c
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Clathrin heavy chain 1, ...
Authors:Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V.
Deposit date:2024-05-28
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
2R1R
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BU of 2r1r by Molmil
RIBONUCLEOTIDE REDUCTASE R1 PROTEIN WITH DTTP OCCUPYING THE SPECIFICITY SITE FROM ESCHERICHIA COLI
Descriptor: RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN, THYMIDINE-5'-TRIPHOSPHATE
Authors:Eriksson, M, Eklund, H.
Deposit date:1997-07-21
Release date:1998-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Binding of allosteric effectors to ribonucleotide reductase protein R1: reduction of active-site cysteines promotes substrate binding.
Structure, 5, 1997
6G91
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BU of 6g91 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G9K
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BU of 6g9k by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-11
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
2R3X
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BU of 2r3x by Molmil
Crystal structure of an R15L hGSTA1-1 mutant complexed with S-hexyl-glutathione
Descriptor: Glutathione S-transferase A1, S-HEXYLGLUTATHIONE
Authors:Burke, J.P.W.G, Kinsley, N, Sayed, M, Sewell, T, Dirr, H.W.
Deposit date:2007-08-30
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Arginine 15 stabilizes an S(N)Ar reaction transition state and the binding of anionic ligands at the active site of human glutathione transferase A1-1.
Biophys.Chem., 146, 2010
3VMP
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BU of 3vmp by Molmil
Crystal structure of dextranase from Streptococcus mutans in complex with 4,5-epoxypentyl alpha-D-glucopyranoside
Descriptor: 5-hydroxypentyl alpha-D-glucopyranoside, Dextranase, PHOSPHATE ION
Authors:Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Okuyama, M, Mori, H, Funane, K, Kimura, A.
Deposit date:2011-12-14
Release date:2012-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural elucidation of dextran degradation mechanism by streptococcus mutans dextranase belonging to glycoside hydrolase family 66
J.Biol.Chem., 287, 2012
5LNN
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BU of 5lnn by Molmil
Crystal structure of D1050A mutant of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana
Descriptor: Histidine kinase CKI1
Authors:Otrusinova, O, Demo, G, Kaderavek, P, Jansen, S, Jasenakova, Z, Pekarova, B, Janda, L, Wimmerova, M, Hejatko, J, Zidek, L.
Deposit date:2016-08-05
Release date:2017-09-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana.
J. Biol. Chem., 292, 2017
9AX6
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BU of 9ax6 by Molmil
Tricomplex of RMC-6236, KRAS G12D, and CypA
Descriptor: (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-03-05
Release date:2024-04-17
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024

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