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9BHR
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Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
分子名称: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1
著者kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-21
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
4P8T
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Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN129
分子名称: (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Neres, J, Pojer, F, Cole, S.T.
登録日2014-04-01
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
9AVK
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Structure of long Rib domain from Limosilactobacillus reuteri
分子名称: SODIUM ION, THIOCYANATE ION, YSIRK signal domain/LPXTG anchor domain surface protein
著者Xue, Y, Kang, X.
登録日2024-03-04
公開日2024-05-08
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Crystal structure of the long Rib domain of the LPXTG-anchored surface protein from Limosilactobacillus reuteri.
Acta Crystallogr.,Sect.F, 80, 2024
9C0Z
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BU of 9c0z by Molmil
Clathrin terminal domain complexed with pitstop 2d
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V.
登録日2024-05-28
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
4P2M
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BU of 4p2m by Molmil
Swapped Dimer of Mycobacterial Adenylyl cyclase Rv1625c: Form 1
分子名称: Adenylate cyclase, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Barathy, D.V, Mattoo, R, Visweswariah, S.S, Suguna, K.
登録日2014-03-04
公開日2014-09-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献New structural forms of a mycobacterial adenylyl cyclase Rv1625c.
Iucrj, 1, 2014
4P97
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BU of 4p97 by Molmil
Functional conservation despite structural divergence in ligand-responsive RNA switches
分子名称: CALCIUM ION, RNA (5'-R(*CP*GP*AP*GP*AP*GP*GP*AP*CP*GP*G)-3'), RNA (5'-R(*CP*GP*UP*CP*UP*AP*CP*CP*CP*AP*CP*CP*UP*CP*GP*C)-3')
著者Boerneke, M.A, Dibrov, S.M, Hermann, T.H.
登録日2014-04-02
公開日2015-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Functional conservation despite structural divergence in ligand-responsive RNA switches.
Proc.Natl.Acad.Sci.USA, 111, 2014
9G7H
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BU of 9g7h by Molmil
Human Sirt6 in complex with ADP-ribose and the inhibitor 2-Pr
分子名称: 2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-3-(propylamino)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propyl]amino]ethyl]pyrimidine-5-carboxamide, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
著者You, W, Steegborn, C.
登録日2024-07-21
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Elucidating the Unconventional Binding Mode of a DNA-Encoded Library Hit Provides a Blueprint for Sirtuin 6 Inhibitor Development.
Chemmedchem, 2024
4P3K
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BU of 4p3k by Molmil
Structure of ancestral PyrR protein (PLUMPyrR)
分子名称: Ancestral PyrR protein (Plum), PENTAETHYLENE GLYCOL, SODIUM ION, ...
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-08
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4PA1
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BU of 4pa1 by Molmil
Crystal Structure of Catalytic Core domain of FIV Integrase
分子名称: Integrase
著者Galilee, M, Alian, A.
登録日2014-04-07
公開日2014-09-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Identification of phe187 as a crucial dimerization determinant facilitates crystallization of a monomeric retroviral integrase core domain.
Structure, 22, 2014
9GBE
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BU of 9gbe by Molmil
Structure of Human Anaplastic Lymphoma Kinase (ALK) harboring the G1202R/L1196M Compound Mutation in Complex with NVL-655
分子名称: ALK tyrosine kinase receptor, NVL-655
著者Mente, S, Horan, J.C.
登録日2024-07-31
公開日2024-09-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NVL-655 Is a Selective and Brain-Penetrant Inhibitor of Diverse ALK Mutant Oncoproteins, Including Lorlatinib-Resistant Compound Mutations
To Be Published
9B7F
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BU of 9b7f by Molmil
S_SAD structure of HEWL using lossless default compression
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K.
登録日2024-03-27
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments
To Be Published
4PCQ
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BU of 4pcq by Molmil
Crystal Structure of MtbAldR (Rv2779c)
分子名称: Possible transcriptional regulatory protein (Probably Lrp/AsnC-family)
著者Dey, A, Ramachandran, R.
登録日2014-04-16
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of MtbAldR
To be published
4PAC
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BU of 4pac by Molmil
Crystal Structure of Histidine-containing Phosphotransfer Protein AHP2 from Arabidopsis thaliana
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Histidine-containing phosphotransfer protein 2, IMIDAZOLE
著者Degtjarik, O, Dopitova, R, Puehringer, S, Weiss, M.S, Janda, L, Hejatko, J, Kuta-Smatanova, I.
登録日2014-04-08
公開日2015-05-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Crystal structure of AHP2 from Arabidopsis thaliana
To Be Published
8Z8M
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BU of 8z8m by Molmil
Crystal structure of human TNF alpha in complex with TNF30(VHH) domain of ozoralizumab
分子名称: TNF30:VHH, Tumor necrosis factor
著者Mima, M, Mishima-Tsumagari, C.
登録日2024-04-22
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural design of the anti-TNF alpha therapeutic NANOBODY® compound, ozoralizumab, to support its potent and sustained clinical efficacy.
Biochem.Biophys.Res.Commun., 734, 2024
4P4I
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BU of 4p4i by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor T33
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Barinka, C.
登録日2014-03-12
公開日2015-05-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
8QKF
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BU of 8qkf by Molmil
SmtB protein of Mycobacterium smegmatis
分子名称: ArsR family transcriptional regulator
著者Potocki, S, Pyra, A, Nowak, E, Rola, A, Plaskowka, K, Trojanowski, D, Holowka, J, Pasikowski, P, Gumienna-Kontecka, E, Zakrzewska-Czerwinska, J.
登録日2023-09-15
公開日2024-09-25
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献SmtB protein of Mycobacterium smegmatis
To Be Published
4P52
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BU of 4p52 by Molmil
Crystal structure of homoserine kinase from Cytophaga hutchinsonii ATCC 33406, NYSGRC Target 032717.
分子名称: Homoserine kinase
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-03-13
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of homoserine kinase from Cytophaga hutchinsonii ATCC 33406, NYSGRC Target 032717.
to be published
9B7E
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BU of 9b7e by Molmil
S_SAD structure of HEWL using lossy compression data with a compression ratio of 422
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K.
登録日2024-03-27
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments
To Be Published
9BDX
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BU of 9bdx by Molmil
NF-kappaB RelA homo-dimer bound to CG-centric kappaB DNA
分子名称: DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*GP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*CP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), Transcription factor p65
著者Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G.
登録日2024-04-12
公開日2024-04-24
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
4P5K
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BU of 4p5k by Molmil
Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergy and Autoimmunity
分子名称: HLA class II histocompatibility antigen, DP alpha 1 chain, RAS peptide,HLA class II histocompatibility antigen, ...
著者Clayton, G.M, Wang, Y, Crawford, F, Novikov, A, Wimberly, B.T, Kieft, J.S, Falta, M.T, Bowerman, N.A, Marrack, P, Fontenot, A.P, Dai, S, Kappler, J.W.
登録日2014-03-17
公開日2015-01-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
4P66
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Electrostatics of Active Site Microenvironments of E. coli DHFR
分子名称: CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ...
著者Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J.
登録日2014-03-21
公開日2014-07-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.
J.Am.Chem.Soc., 136, 2014
8YEL
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BU of 8yel by Molmil
Cryo-EM structure of the channelrhodopsin GtCCR4
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cation channel rhodopsin 4, RETINAL
著者Tanaka, T, Iida, W, Sano, F.K, Oda, K, Shihoya, W, Nureki, O.
登録日2024-02-22
公開日2024-09-04
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献The high-light-sensitivity mechanism and optogenetic properties of the bacteriorhodopsin-like channelrhodopsin GtCCR4.
Mol.Cell, 2024
4P6A
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Crystal structure of a potent anti-HIV lectin actinohivin in complex with alpha-1,2-mannotriose
分子名称: Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
著者Zhang, F, Hoque, M.M, Suzuki, K, Tsunoda, M, Naomi, O, Tanaka, H, Takenaka, A.
登録日2014-03-23
公開日2015-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献The characteristic structure of anti-HIV actinohivin in complex with three HMTG D1 chains of HIV-gp120.
Chembiochem, 15, 2014
6N1C
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BU of 6n1c by Molmil
Crystal structure of Inorganic pyrophosphatase from Legionella pneumophila Philadelphia 1
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ALANINE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-11-08
公開日2018-12-19
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Characterization of a family I inorganic pyrophosphatase from Legionella pneumophila Philadelphia 1.
Acta Crystallogr.,Sect.F, 79, 2023
4PBV
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BU of 4pbv by Molmil
Crystal structure of chicken receptor protein tyrosine phosphatase sigma in complex with TrkC
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, NT-3 growth factor receptor, Protein-tyrosine phosphatase CRYPalpha1 isoform, ...
著者Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R.
登録日2014-04-14
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis.
Nat Commun, 5, 2014

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