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6URM
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BU of 6urm by Molmil
Crystal structure of vaccine-elicited receptor-binding site targeting antibody LPAF-a.01 in complex with Hemagglutinin H1 A/California/04/2009
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, GLYCEROL, ...
著者Zhou, T, Cheung, S.F, Kwong, P.D.
登録日2019-10-23
公開日2020-09-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Identification and Structure of a Multidonor Class of Head-Directed Influenza-Neutralizing Antibodies Reveal the Mechanism for Its Recurrent Elicitation.
Cell Rep, 32, 2020
9CSZ
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BU of 9csz by Molmil
Crystallographic structure of M271 a new Kunitz-STI from potato
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, GLYCEROL, KTI-A protein, ...
著者Campuzano-Gonzalez, A, Rudino-Pinera, E.
登録日2024-07-24
公開日2025-05-14
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural determination of a new non-canonical inhibition complex between porcine trypsin and M271 a potato Kunitz-STI inhibitor.
Biochem.Biophys.Res.Commun., 768, 2025
3IID
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BU of 3iid by Molmil
Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form A)
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1, ...
著者Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K.
登録日2009-07-31
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation.
Nat.Struct.Mol.Biol., 16, 2009
5F5F
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BU of 5f5f by Molmil
X-ray structure of Roquin ROQ domain in complex with a Selex-derived hexa-loop RNA motif
分子名称: RNA (5'-R(P*UP*GP*AP*CP*UP*GP*CP*GP*UP*UP*UP*UP*AP*GP*GP*AP*GP*UP*UP*A)-3'), Roquin-1
著者Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
登録日2015-12-04
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Roquin recognizes a non-canonical hexaloop structure in the 3'-UTR of Ox40.
Nat Commun, 7, 2016
5OVG
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BU of 5ovg by Molmil
Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 18
分子名称: 1,2-ETHANEDIOL, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
著者Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B.
登録日2017-08-28
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4NV7
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BU of 4nv7 by Molmil
Crystal Structure of Mesorhizobium Loti Arylamine N-acetyltransferase 1 In Complex With CoA
分子名称: Arylamine N-acetyltransferase, COENZYME A
著者Xu, X.M, Haouz, A, Weber, P, Li de la sierra-gallay, I, Kubiak, X, Dupret, J.-M, Rodrigues-lima, F.
登録日2013-12-05
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Insight into cofactor recognition in arylamine N-acetyltransferase enzymes: structure of Mesorhizobium loti arylamine N-acetyltransferase in complex with coenzyme A.
Acta Crystallogr.,Sect.D, 71, 2015
6A6D
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BU of 6a6d by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution
分子名称: DEPHOSPHO COENZYME A, MAGNESIUM ION, Phosphopantetheine adenylyltransferase, ...
著者Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2018-06-27
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution
To Be Published
6VMZ
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BU of 6vmz by Molmil
Crystal Structure of a H5N1 influenza virus hemagglutinin with CBS1117
分子名称: 2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M.
登録日2020-01-28
公開日2020-07-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of avian influenza hemagglutinin in complex with a small molecule entry inhibitor.
Life Sci Alliance, 3, 2020
9EEC
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BU of 9eec by Molmil
X-ray crystallographic structure of a beta-hairpin peptide mimic derived from Abeta 16-36 ORN-LYS-LEU-VAL-H7V-PHE-ALA-GLU-ORN-ALA-ILE-ILE-GLY-LEU-MET-VAL
分子名称: ORN-LYS-LEU-VAL-H7V-PHE-ALA-GLU-ORN-ALA-ILE-ILE-GLY-LEU-MET-VAL
著者Kreutzer, A.G, Zhu, J, Nowick, J.S.
登録日2024-11-18
公開日2025-04-09
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A beta-hairpin peptide derived from A beta forms different oligomers in the crystal state and in aqueous solution.
Org.Biomol.Chem., 23, 2025
7M50
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BU of 7m50 by Molmil
Crystallographic structure of a cubic crystal form of STMV grown from ammonium sulfate
分子名称: CHLORIDE ION, Coat protein, MAGNESIUM ION, ...
著者McPherson, A.
登録日2021-03-22
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
7S8R
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BU of 7s8r by Molmil
Crystal Structure of HLA A*1101 in complex with SALEWIKNK, an 9-mer epitope from Influenza B
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Nguyen, A.T, Szeto, C, Gras, S.
登録日2021-09-19
公開日2022-02-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people.
Plos Pathog., 18, 2022
7S8Q
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BU of 7s8q by Molmil
Crystal Structure of HLA A*1101 in complex with KTNGNAFIGK, an 10-mer epitope from Influenza B
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Nguyen, A.T, Szeto, C, Gras, S.
登録日2021-09-19
公開日2022-02-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people.
Plos Pathog., 18, 2022
6SBA
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BU of 6sba by Molmil
Crystal Structure of mTEAD with a VGL4 Tertiary Structure Mimetic
分子名称: ACETYL GROUP, GLYCEROL, Transcriptional enhancer factor TEF-3, ...
著者Adihou, H, Grossmann, T.N, Waldmann, H, Gasper, R.
登録日2019-07-19
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A protein tertiary structure mimetic modulator of the Hippo signalling pathway.
Nat Commun, 11, 2020
5V7I
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BU of 5v7i by Molmil
Crystal structure of homo sapiens serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), in complex with glycine, PLP and folate-competitive pyrazolopyran inhibitor: 6-amino-4-isopropyl-3-methyl-4-(3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
分子名称: (4R)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ducker, G.S, Ghergurovich, J.M, Mainolfi, N, Suri, V, Jeong, S, Friedman, A, Manfredi, M, Kim, H, Rabinowitz, J.D.
登録日2017-03-20
公開日2017-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Human SHMT inhibitors reveal defective glycine import as a targetable metabolic vulnerability of diffuse large B-cell lymphoma.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5SJN
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BU of 5sjn by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
分子名称: (4R)-6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
3KWF
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BU of 3kwf by Molmil
human DPP-IV with carmegliptin (S)-1-((2S,3S,11bS)-2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one
分子名称: (4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4
著者Hennig, M, Stihle, M, Thoma, R.
登録日2009-12-01
公開日2010-01-12
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of carmegliptin: A potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
Bioorg.Med.Chem.Lett., 20, 2010
6VVY
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BU of 6vvy by Molmil
Mycobacterium tuberculosis WT RNAP transcription open promoter complex with Sorangicin
分子名称: DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6DX0
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BU of 6dx0 by Molmil
Hermes transposase deletion dimer complex with (A/T) DNA
分子名称: DNA (25-MER), DNA (5'-D(*AP*GP*AP*GP*AP*AP*CP*AP*AP*CP*AP*AP*CP*AP*AP*G)-3'), DNA (5'-D(*GP*CP*GP*TP*GP*AP*A)-3'), ...
著者Dyda, F, Voth, A.R, Hickman, A.B.
登録日2018-06-28
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insights into the mechanism of double strand break formation by Hermes, a hAT family eukaryotic DNA transposase.
Nucleic Acids Res., 46, 2018
1JEG
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BU of 1jeg by Molmil
Solution structure of the SH3 domain from C-terminal Src Kinase complexed with a peptide from the tyrosine phosphatase PEP
分子名称: HEMATOPOIETIC CELL PROTEIN-TYROSINE PHOSPHATASE 70Z-PEP, TYROSINE-PROTEIN KINASE CSK
著者Ghose, R, Shekhtman, A, Goger, M.J, Ji, H, Cowburn, D.
登録日2001-06-17
公開日2001-10-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A novel, specific interaction involving the Csk SH3 domain and its natural ligand.
Nat.Struct.Biol., 8, 2001
5LKS
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BU of 5lks by Molmil
Structure-function insights reveal the human ribosome as a cancer target for antibiotics
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
著者Myasnikov, A.G, Natchiar, S.K, Nebout, M, Hazemann, I, Imbert, V, Khatter, H, Peyron, J.-F, Klaholz, B.P.
登録日2016-07-23
公開日2017-04-26
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure-function insights reveal the human ribosome as a cancer target for antibiotics.
Nat Commun, 7, 2016
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, Hemagglutinin HA2 chain, ...
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2024-12-25
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
1BCJ
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BU of 1bcj by Molmil
MANNOSE-BINDING PROTEIN-A MUTANT (QPDWGHV) COMPLEXED WITH N-ACETYL-D-GALACTOSAMINE
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Kolatkar, A.R, Weis, W.I.
登録日1998-04-30
公開日1998-06-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of N-acetylgalactosamine binding to a C-type animal lectin carbohydrate-recognition domain.
J.Biol.Chem., 273, 1998
7LM9
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BU of 7lm9 by Molmil
Crystal structure of SARS-CoV spike protein receptor-binding domain in complex with a cross-neutralizing antibody CV38-142 Fab isolated from COVID-19 patient
分子名称: 1,2-ETHANEDIOL, CV38-142 Fab heavy chain, CV38-142 Fab light chain, ...
著者Liu, H, Yuan, M, Zhu, X, Wilson, I.A.
登録日2021-02-05
公開日2021-03-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献A combination of cross-neutralizing antibodies synergizes to prevent SARS-CoV-2 and SARS-CoV pseudovirus infection.
Cell Host Microbe, 29, 2021
5E30
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BU of 5e30 by Molmil
Crystal structure of H5 hemagglutinin Q226L mutant from the influenza virus A/duck/Egypt/10185SS/2010 (H5N1) with LSTc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, ...
著者Zhu, X, Wilson, I.A.
登録日2015-10-01
公開日2015-12-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for a Switch in Receptor Binding Specificity of Two H5N1 Hemagglutinin Mutants.
Cell Rep, 13, 2015
5M0R
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Cryo-EM reconstruction of the maedi-visna virus (MVV) strand transfer complex
分子名称: integrase, tDNA, vDNA, ...
著者Pye, V.E, Ballandras-Colas, A, Maskell, D, Locke, J, Kotecha, A, Costa, A, Cherepanov, P.
登録日2016-10-05
公開日2017-01-18
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.2 Å)
主引用文献A supramolecular assembly mediates lentiviral DNA integration.
Science, 355, 2017

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