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4M1W
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BU of 4m1w by Molmil
Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C
分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, MAGNESIUM ION, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-04
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LUP
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BU of 4lup by Molmil
Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10 element non template strand
分子名称: 1,2-ETHANEDIOL, RNA polymerase sigma factor, region 2 of sigmaE of E. coli
著者Campagne, S, Marsh, M.E, Vorholt, J.A.V, Allain, F.H.-T, Capitani, G.
登録日2013-07-25
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis for -10 promoter element melting by environmentally induced sigma factors.
Nat.Struct.Mol.Biol., 21, 2014
4LZP
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BU of 4lzp by Molmil
Structure of the TIR domain of the immunosuppressor BtpA from Brucella
分子名称: Putative uncharacterized protein
著者Kaplan-turkoz, B, O'callaghan, D, Vergunst, A, Terradot, L.
登録日2013-08-01
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structure of the Toll/interleukin 1 receptor (TIR) domain of the immunosuppressive Brucella effector BtpA/Btp1/TcpB
Febs Lett., 587, 2013
4AOJ
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BU of 4aoj by Molmil
Human TrkA in complex with the inhibitor AZ-23
分子名称: 5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR, ZINC ION
著者Wang, T, Lamb, M.L, Block, M.H, Davies, A.M, Han, Y, Hoffmann, E, Ioannidis, S, Josey, J.A, Liu, Z, Lyne, P.D, MacIntyre, T, Mohr, P.J, Omer, C.A, Sjogren, T, Thress, K, Wang, B, Wang, H, Yu, D, Zhang, H.
登録日2012-03-28
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors
Acs Med.Chem.Lett., 3, 2012
4NP8
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BU of 4np8 by Molmil
Structure of an amyloid forming peptide VQIVYK from the second repeat region of tau (alternate polymorph)
分子名称: Microtubule-associated protein tau
著者Landau, M, Eisenberg, D, Sawaya, M.R, Dannenberg, J, Kobko, N.
登録日2013-11-20
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
4E2R
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BU of 4e2r by Molmil
Interactions of Ba2+ with a non-self-complementary Z-type DNA duplex
分子名称: BARIUM ION, DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*G)-3')
著者Mandal, P.K, Venkadesh, S, Gautham, N.
登録日2012-03-09
公開日2013-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Interactions of Ba2+ with a non-self-complementary Z-type DNA duplex
To be Published
3KKA
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BU of 3kka by Molmil
Co-crystal structure of the sam domains of EPHA1 AND EPHA2
分子名称: CHLORIDE ION, EPHRIN TYPE-A RECEPTOR 1, EPHRIN TYPE-A RECEPTOR 2
著者Walker, J.R, Yermekbayeva, L, Butler-Cole, C, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-11-05
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Co-Crystal Structure of the SAM Domains of Human Ephrin Type-A Receptor 1 and Human Ephrin Type-A Receptor 2
To be Published
4ACV
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BU of 4acv by Molmil
Listeria monocytogenes Antigen B
分子名称: PROPHAGE LAMBDALM01, ANTIGEN B
著者Huyet, J, Naylor, C.E, Geddes, S, Basak, A.K.
登録日2011-12-19
公開日2013-01-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structure of Listeria Monocytogenes Antigen B Reveals its Relationship to Phage Tail Proteins
To be Published
3KFL
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BU of 3kfl by Molmil
Leishmania major methionyl-tRNA synthetase in complex with methionyladenylate and pyrophosphate
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-10-27
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Leishmania major methionyl-tRNA synthetase in complex with intermediate products methionyladenylate and pyrophosphate.
Biochimie, 93, 2011
3KB7
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BU of 3kb7 by Molmil
Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor
分子名称: 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, L(+)-TARTARIC ACID, Serine/threonine-protein kinase PLK1, ...
著者Bossi, R.T, Bertrand, J.A.
登録日2009-10-20
公開日2010-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors
J.Med.Chem., 53, 2010
4NVR
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BU of 4nvr by Molmil
2.22 Angstrom Resolution Crystal Structure of a Putative Acyltransferase from Salmonella enterica
分子名称: CALCIUM ION, CHLORIDE ION, Putative acyltransferase
著者Minasov, G, Wawrzak, Z, Skarina, T, Gordon, E, Stam, J, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-12-05
公開日2013-12-18
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献2.22 Angstrom Resolution Crystal Structure of a Putative Acyltransferase from Salmonella enterica.
TO BE PUBLISHED
4NPD
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BU of 4npd by Molmil
High-resolution structure of C domain of staphylococcal protein A at cryogenic temperature
分子名称: Immunoglobulin G-binding protein A, THIOCYANATE ION, ZINC ION
著者Deis, L.N, Pemble IV, C.W, Oas, T.G, Richardson, J.S, Richardson, D.C.
登録日2013-11-21
公開日2014-10-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Multiscale conformational heterogeneity in staphylococcal protein a: possible determinant of functional plasticity.
Structure, 22, 2014
3KHQ
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BU of 3khq by Molmil
Crystal structure of murine Ig-beta (CD79b) in the monomeric form
分子名称: B-cell antigen receptor complex-associated protein beta chain, CITRATE ANION, GLUTATHIONE, ...
著者Radaev, S, Sun, P.D.
登録日2009-10-30
公開日2010-08-25
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor.
Structure, 18, 2010
4A8A
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BU of 4a8a by Molmil
Asymmetric cryo-EM reconstruction of E. coli DegQ 12-mer in complex with lysozyme
分子名称: LYSOZYME C, PERIPLASMIC PH-DEPENDENT SERINE ENDOPROTEASE DEGQ
著者Malet, H, Canellas, F, Sawa, J, Yan, J, Thalassinos, K, Ehrmann, M, Clausen, T, Saibil, H.R.
登録日2011-11-20
公開日2011-12-28
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (14.2 Å)
主引用文献Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq
Nat.Struct.Mol.Biol., 19, 2012
3KGB
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BU of 3kgb by Molmil
Crystal structure of thymidylate synthase 1/2 from Encephalitozoon cuniculi at 2.2 A resolution
分子名称: CHLORIDE ION, Thymidylate synthase 1/2
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-10-28
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of thymidylate synthase 1/2 from Encephalitozoon cuniculi at 2.2 A resolution
TO BE PUBLISHED
4NQV
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BU of 4nqv by Molmil
Crystal Structure of HLA A*0101 in complex with NP44, an 9-mer influenza epitope
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-1 alpha chain, ...
著者Rossjohn, J, Gras, S.
登録日2013-11-25
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Preexisting CD8+ T-cell immunity to the H7N9 influenza A virus varies across ethnicities.
Proc.Natl.Acad.Sci.USA, 111, 2014
4A2Y
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BU of 4a2y by Molmil
STRUCTURE OF THE HUMAN EOSINOPHIL CATIONIC PROTEIN IN COMPLEX WITH CITRATE ANIONS
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CITRIC ACID, EOSINOPHIL CATIONIC PROTEIN
著者Boix, E, Pulido, D, Moussaoui, M, Nogues, V, Russi, S.
登録日2011-09-29
公開日2012-06-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Sulfate-Binding Site Structure of the Human Eosinophil Cationic Protein as Revealed by a New Crystal Form.
J.Struct.Biol., 179, 2012
3KBH
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BU of 3kbh by Molmil
Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein
著者Wu, K, Li, W, Peng, G, Li, F.
登録日2009-10-20
公開日2009-12-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
4EC7
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BU of 4ec7 by Molmil
Cobra NGF in complex with lipid
分子名称: (2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate, Venom nerve growth factor
著者Jiang, T, Wang, F, Tong, Q.
登録日2012-03-26
公開日2012-09-12
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional insights into lipid-bound nerve growth factors
Faseb J., 26, 2012
4NYF
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BU of 4nyf by Molmil
HIV integrase in complex with inhibitor
分子名称: (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid, CADMIUM ION, Integrase
著者Coulombe, R, Fader, L.
登録日2013-12-10
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1.
ACS Med Chem Lett, 5, 2014
446D
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BU of 446d by Molmil
STRUCTURE OF THE OLIGONUCLEOTIDE D(CGTATATACG) AS A SITE SPECIFIC COMPLEX WITH NICKEL IONS
分子名称: DNA (5'-D(*CP*GP*TP*AP*TP*AP*TP*AP*CP*G)-3'), NICKEL (II) ION
著者Abrescia, N.G.A, Malinina, L, Gonzaga, L.F, Huynh-Dinh, T, Neidle, S, Subirana, J.A.
登録日1999-01-15
公開日1999-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the oligonucleotide d(CGTATATACG) as a site-specific complex with nickel ions.
Nucleic Acids Res., 27, 1999
4O22
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BU of 4o22 by Molmil
Binary complex of metal-free PKAc with SP20.
分子名称: Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha.
著者Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S.
登録日2013-12-16
公開日2014-05-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4O2D
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Crystal structure of aspartyl-tRNA synthetase from Mycobacterium smegmatis with bound aspartic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ASPARTIC ACID, Aspartate--tRNA ligase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-17
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3KM5
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BU of 3km5 by Molmil
Crystal Structure Analysis of the K2 Cleaved Adhesin Domain of Lys-gingipain (Kgp)
分子名称: CALCIUM ION, GLYCEROL, Lysine specific cysteine protease, ...
著者Li, N, Collyer, C.A, Hunter, N.
登録日2009-11-09
公開日2010-03-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure determination and analysis of a haemolytic gingipain adhesin domain from Porphyromonas gingivalis
Mol.Microbiol., 76, 2010
4A1Z
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Eg5-1
分子名称: ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION, ...
著者Talapatra, S.K, Kozielski, F.
登録日2011-09-20
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism.
J.Med.Chem., 56, 2013

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