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5AR7
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RIP2 Kinase Catalytic Domain (1 - 310) complex with Biaryl Urea
分子名称: 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-PYRIDIN-4-YLOXYPHENYL)UREA, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
著者Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L.
登録日2015-09-24
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
8EVD
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BU of 8evd by Molmil
Crystal Structure of Nanobody VHH101 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, Nanobody VHH101
著者Simard, A.R, Taher, N.M, Beauchemin, K.S, Madden, D.R.
登録日2022-10-20
公開日2024-03-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Nanobody VHH101 Bound to Its Antigen PA14 Cif
To Be Published
3VF0
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BU of 3vf0 by Molmil
Raver1 in complex with metavinculin L954 deletion mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Ribonucleoprotein PTB-binding 1, ...
著者Lee, J.H, Vonrhein, C, Bricogne, G, Izard, T.
登録日2012-01-09
公開日2012-07-25
最終更新日2012-09-19
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献The Metavinculin Tail Domain Directs Constitutive Interactions with Raver1 and vinculin RNA.
J.Mol.Biol., 422, 2012
3IJZ
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BU of 3ijz by Molmil
Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P.
登録日2009-08-05
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
5XWP
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BU of 5xwp by Molmil
Crystal structure of LbuCas13a-crRNA-target RNA ternary complex
分子名称: RNA (30-MER), RNA (59-MER), Uncharacterized protein
著者Liu, L, Li, X, Li, Z, Wang, Y.
登録日2017-06-30
公開日2017-09-13
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3.086 Å)
主引用文献The Molecular Architecture for RNA-Guided RNA Cleavage by Cas13a.
Cell, 170, 2017
3FKU
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BU of 3fku by Molmil
Crystal structure of influenza hemagglutinin (H5) in complex with a broadly neutralizing antibody F10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Neutralizing antibody F10, ...
著者Hwang, W.C, Santelli, E, Stec, B, Wei, G, Cadwell, G, Bankston, L.A, Sui, J, Perez, S, Aird, D, Chen, L.M, Ali, M, Murakami, A, Yammanuru, A, Han, T, Cox, N, Donis, R.O, Liddington, R.C, Marasco, W.A.
登録日2008-12-17
公開日2009-02-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and functional bases for broad-spectrum neutralization of avian and human influenza A viruses.
Nat.Struct.Mol.Biol., 16, 2009
3A27
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BU of 3a27 by Molmil
Crystal structure of M. jannaschii TYW2 in complex with AdoMet
分子名称: S-ADENOSYLMETHIONINE, Uncharacterized protein MJ1557
著者Umitsu, M, Nishimasu, H, Ishitani, R, Nureki, O.
登録日2009-04-28
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Structural basis of AdoMet-dependent aminocarboxypropyl transfer reaction catalyzed by tRNA-wybutosine synthesizing enzyme, TYW2
Proc.Natl.Acad.Sci.USA, 106, 2009
7QQ6
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BU of 7qq6 by Molmil
GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 1 (dovitinib)
分子名称: 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, eIF-2-alpha kinase GCN2
著者Maia de Oliveira, T.
登録日2022-01-06
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif.
Biochem.J., 477, 2020
3IK0
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BU of 3ik0 by Molmil
Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 7C1
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide, Thymidylate synthase
著者Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P.
登録日2009-08-05
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
5BUE
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BU of 5bue by Molmil
ERK2 complexed with N-benzylpyridone tetrahydroazaindazole
分子名称: 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION
著者Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
3A26
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BU of 3a26 by Molmil
Crystal structure of P. horikoshii TYW2 in complex with MeSAdo
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, TETRAETHYLENE GLYCOL, Uncharacterized protein PH0793
著者Umitsu, M, Nishimasu, H, Ishitani, R, Nureki, O.
登録日2009-04-28
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of AdoMet-dependent aminocarboxypropyl transfer reaction catalyzed by tRNA-wybutosine synthesizing enzyme, TYW2
Proc.Natl.Acad.Sci.USA, 106, 2009
5B34
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BU of 5b34 by Molmil
Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with Iodine-labeled Detergent HAD13a Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA
分子名称: 2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid, Bacteriorhodopsin, DECANE, ...
著者Mizohata, E, Nakane, T.
登録日2016-02-10
公開日2016-11-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent
Proc.Natl.Acad.Sci.USA, 113, 2016
8AAT
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BU of 8aat by Molmil
X-RAY STRUCTURE REFINEMENT AND COMPARISON OF THREE FORMS OF MITOCHONDRIAL ASPARTATE AMINOTRANSFERASE
分子名称: ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
著者Mcphalen, C.A, Vincent, M.G, Jansonius, J.N.
登録日1991-12-02
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray structure refinement and comparison of three forms of mitochondrial aspartate aminotransferase.
J.Mol.Biol., 225, 1992
3F2B
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BU of 3f2b by Molmil
DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mg and Zn
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ...
著者Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C.
登録日2008-10-29
公開日2009-01-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of PolC reveals unique DNA binding and fidelity determinants.
Proc.Natl.Acad.Sci.USA, 105, 2008
1FYB
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BU of 1fyb by Molmil
SOLUTION STRUCTURE OF C1-T1, A TWO-DOMAIN PROTEINASE INHIBITOR DERIVED FROM THE CIRCULAR PRECURSOR PROTEIN NA-PROPI FROM NICOTIANA ALATA
分子名称: PROTEINASE INHIBITOR
著者Craik, D.J, Schirra, H.J, Scanlon, M.J, Anderson, M.A.
登録日2000-09-28
公開日2001-02-21
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献The solution structure of C1-T1, a two-domain proteinase inhibitor derived from a circular precursor protein from Nicotiana alata.
J.Mol.Biol., 306, 2001
3F7P
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BU of 3f7p by Molmil
Crystal structure of a complex between integrin beta4 and plectin
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者de Pereda, J.M.
登録日2008-11-10
公開日2009-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis of the interaction between integrin alpha6beta4 and plectin at the hemidesmosomes
Embo J., 28, 2009
1G9U
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BU of 1g9u by Molmil
CRYSTAL STRUCTURE OF YOPM-LEUCINE RICH EFFECTOR PROTEIN FROM YERSINIA PESTIS
分子名称: ACETATE ION, CALCIUM ION, MERCURY (II) ION, ...
著者Evdokimov, A.G, Anderson, D.E, Routzahn, K.M, Waugh, D.S.
登録日2000-11-28
公開日2001-10-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Unusual molecular architecture of the Yersinia pestis cytotoxin YopM: a leucine-rich repeat protein with the shortest repeating unit.
J.Mol.Biol., 312, 2001
2WJO
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BU of 2wjo by Molmil
human Bace (beta secretase) in complex with Cyclohexanecarboxylic acid (2-(2-am ino-6-phenoxy-4H-quinazolin-3-yl)-2 -cyclohexyl-ethyl)- amide
分子名称: 2-AMINO-3-{(1R)-1-CYCLOHEXYL-2-[(CYCLOHEXYLCARBONYL)AMINO]ETHYL}-6-PHENOXYQUINAZOLIN-3-IUM, BETA-SECRETASE 1
著者Mathieu, M, Dupuy, A.S.
登録日2009-05-28
公開日2010-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Shape and Medicinal Chemistry: A Perspective.
J.Med.Chem., 53, 2010
7QWK
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GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 2
分子名称: (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide, DIMETHYL SULFOXIDE, eIF-2-alpha kinase GCN2
著者Maia de Oliveira, T.
登録日2022-01-25
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif.
Biochem.J., 477, 2020
5BCA
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BETA-AMYLASE FROM BACILLUS CEREUS VAR. MYCOIDES
分子名称: CALCIUM ION, PROTEIN (1,4-ALPHA-D-GLUCAN MALTOHYDROLASE.)
著者Oyama, T, Kusunoki, M, Kishimoto, Y, Takasaki, Y, Nitta, Y.
登録日1999-03-12
公開日2000-03-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of beta-amylase from Bacillus cereus var. mycoides at 2.2 A resolution.
J.Biochem.(Tokyo), 125, 1999
2WTY
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Crystal structure of the homodimeric MafB in complex with the T-MARE binding site
分子名称: DNA (5'-D(*TP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP *GP*CP*AP*AP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*TP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP *GP*CP*AP*AP*TP*T)-3'), MAGNESIUM ION, ...
著者Consani Textor, L, Holton, S, Wilmanns, M.
登録日2009-09-25
公開日2010-12-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design of a bZIP Transcription Factor with Homo/Heterodimer-Induced DNA-Binding Preference.
Structure, 22, 2014
4Q6D
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BU of 4q6d by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[(Z)-azepan-1-yldiazenyl]benzenesulfonamide
分子名称: 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-22
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014
3F7Q
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First pair of Fibronectin type III domains and part of the connecting segment of the integrin beta4
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者de Pereda, J.M.
登録日2008-11-10
公開日2009-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of the interaction between integrin alpha6beta4 and plectin at the hemidesmosomes
Embo J., 28, 2009
3AE0
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BU of 3ae0 by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with geranylgeranyl thiopyrophosphate
分子名称: Dehydrosqualene synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-31
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
5W4S
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Solution structure of C2 domain from protein kinase C alpha in ternary complex with calcium and V5-pHM peptide
分子名称: CALCIUM ION, Protein kinase C alpha type, V5-pHM peptide
著者Yang, Y, Igumenova, T.I.
登録日2017-06-12
公開日2018-04-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Basis of Protein Kinase C alpha Regulation by the C-Terminal Tail.
Biophys. J., 114, 2018

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