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5EBI
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BU of 5ebi by Molmil
Crystal structure of a DNA-RNA chimera in complex with Ba2+ ions: a case of unusual multi-domain twinning
分子名称: BARIUM ION, DNA/RNA (5'-D(*C)-R(P*G)-D(P*C)-R(P*G)-D(P*C)-R(P*G)-3')
著者Gilski, M, Drozdzal, P, Kierzek, R, Jaskolski, M.
登録日2015-10-19
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Atomic resolution structure of a chimeric DNA-RNA Z-type duplex in complex with Ba(2+) ions: a case of complicated multi-domain twinning.
Acta Crystallogr D Struct Biol, 72, 2016
5EOE
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BU of 5eoe by Molmil
Crystal structure of extended-spectrum beta-lactamase BEL-1 (orthorhombic form)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2015-11-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
5EOO
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BU of 5eoo by Molmil
Crystal structure of extended-spectrum beta-lactamase BEL-1 (monoclinic form)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-lactamase, CHLORIDE ION, ...
著者Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2015-11-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
3D11
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BU of 3d11 by Molmil
Crystal Structures of the Nipah G Attachment Glycoprotein
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, Hemagglutinin-neuraminidase, ...
著者Xu, K, Rajashankar, K.R, Chan, Y.P, Himanen, P, Broder, C.C, Nikolov, D.B.
登録日2008-05-02
公開日2008-08-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.306 Å)
主引用文献Host cell recognition by the henipaviruses: crystal structures of the Nipah G attachment glycoprotein and its complex with ephrin-B3.
Proc.Natl.Acad.Sci.USA, 105, 2008
5DLZ
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BU of 5dlz by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-({1-[(3-methylphe methyl]piperidin-4-yl}methyl)butanamide
分子名称: Bromodomain-containing protein 4, N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
著者Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
登録日2015-09-07
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
7ZOR
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BU of 7zor by Molmil
Crystal structure of anti-Siglec-15 Fab
分子名称: Anti-siglec15 FAB HC, Anti-siglec15 FAB LC
著者Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J.
登録日2022-04-26
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.933 Å)
主引用文献Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
7ZOZ
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BU of 7zoz by Molmil
Crystal structure of Siglec-15 in complex with Fab
分子名称: Anti-Siglec 15 Fab HC, Anti-Siglec 15 Fab LC, Sialic acid-binding Ig-like lectin 15
著者Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J.
登録日2022-04-26
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
5EPH
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BU of 5eph by Molmil
Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Imipenem
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-lactamase, CHLORIDE ION, ...
著者Pozzi, C, Benvenuti, M, De Luca, F, Docquier, J.D, Mangani, S.
登録日2015-11-11
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
5LM2
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BU of 5lm2 by Molmil
Crystal Structure of HD-PTP phosphatase
分子名称: Tyrosine-protein phosphatase non-receptor type 23
著者Levy, C.
登録日2016-07-28
公開日2016-11-30
最終更新日2016-12-14
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural Basis for Selective Interaction between the ESCRT Regulator HD-PTP and UBAP1.
Structure, 24, 2016
1ZHB
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BU of 1zhb by Molmil
Crystal Structure Of The Murine Class I Major Histocompatibility Complex Of H-2Db, B2-Microglobulin, and a 9-Residue Peptide Derived from rat dopamine beta-monooxigenase
分子名称: 9-mer peptide from Dopamine beta-monooxygenase, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Sandalova, T, Michaelsson, J, Harris, R.A, Odeberg, J, Schneider, G, Karre, K, Achour, A.
登録日2005-04-25
公開日2005-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A structural basis for CD8+ T cell-dependent recognition of non-homologous peptide ligands: implications for molecular mimicry in autoreactivity
J.Biol.Chem., 280, 2005
5LM1
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BU of 5lm1 by Molmil
Crystal Structure of HD-PTP phosphatase in complex with UBAP1
分子名称: Tyrosine-protein phosphatase non-receptor type 23, UBAP-1
著者Levy, C.
登録日2016-07-28
公開日2016-11-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for Selective Interaction between the ESCRT Regulator HD-PTP and UBAP1.
Structure, 24, 2016
5DLX
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BU of 5dlx by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine-4-carboxamide
分子名称: Bromodomain-containing protein 4, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
著者Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
登録日2015-09-07
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
3D12
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BU of 3d12 by Molmil
Crystal Structures of Nipah Virus G Attachment Glycoprotein in Complex with its Receptor Ephrin-B3
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, Ephrin-B3, ...
著者Xu, K, Rajashankar, K.R, Chan, Y.P, Himanen, P, Broder, C.C, Nikolov, D.B.
登録日2008-05-02
公開日2008-08-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Host cell recognition by the henipaviruses: crystal structures of the Nipah G attachment glycoprotein and its complex with ephrin-B3.
Proc.Natl.Acad.Sci.USA, 105, 2008
7UK2
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BU of 7uk2 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390
分子名称: Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ...
著者Erdogan, F, Seo, H.-S, Dhe-Paganon, S.
登録日2022-03-31
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma.
Pharmaceuticals, 15, 2022
5EUA
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BU of 5eua by Molmil
Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Moxalactam
分子名称: (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3 -oxazine-4-carboxylic acid, Beta-lactamase, SODIUM ION
著者Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2015-11-18
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
5HFO
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BU of 5hfo by Molmil
CRYSTAL STRUCTURE OF OXA-232 BETA-LACTAMASE
分子名称: Beta-lactamase, CHLORIDE ION, GLYCEROL, ...
著者Retailleau, P, Oueslati, S, Cisse, C, Nordmann, P, Naas, T, Iorga, B.
登録日2016-01-07
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Role of Arginine 214 in the Substrate Specificity of OXA-48.
Antimicrob.Agents Chemother., 64, 2020
5OQ4
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BU of 5oq4 by Molmil
PQR309 - a Potent, Brain-Penetrant, Orally Bioavailable, pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology
分子名称: 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Williams, R.L, Zhang, X.
登録日2017-08-10
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PQR309), a Potent, Brain-Penetrant, Orally Bioavailable, Pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology.
J. Med. Chem., 60, 2017
6AIE
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BU of 6aie by Molmil
Crystal structure of a new form of RsmD-like RNA methyl transferase from Mycobacterium tuberculosis determined at 1.74 A resolution
分子名称: Putative methyltransferase
著者Venkataraman, S, Dhankar, A, Sinha, K.M, Manivasakan, P, Iqbal, N, Singh, T.P, Prasad, B.V.L.S.
登録日2018-08-22
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of a new form of RsmD-like RNA methyl transferase from Mycobacterium tuberculosis determined at 1.74 A resolution
To Be Published
8OLU
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BU of 8olu by Molmil
Leishmania tarentolae proteasome 20S subunit in complex with 1-Benzyl-N-(3-(cyclopropylcarbamoyl)phenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
分子名称: Proteasome alpha 1 subunit, putative, Proteasome alpha 5 subunit, ...
著者Rowland, P.
登録日2023-03-30
公開日2023-08-09
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Structure-Guided Design and Synthesis of a Pyridazinone Series of Trypanosoma cruzi Proteasome Inhibitors.
J.Med.Chem., 66, 2023
4BLB
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BU of 4blb by Molmil
Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex
分子名称: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, ZINC FINGER PROTEIN GLI1, ...
著者Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L.
登録日2013-05-02
公開日2013-11-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4BL9
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BU of 4bl9 by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I)
分子名称: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L.
登録日2013-05-02
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
6EWW
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BU of 6eww by Molmil
Structure of 14-3-3 zeta in complex with CaMKK2 14-3-3 binding motif
分子名称: 14-3-3 protein zeta/delta, ARG-LYS-LEU-SEP-LEU-GLN-GLU-ARG
著者Lentini Santo, D, Obsilova, V, Obsil, T.
登録日2017-11-06
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.679 Å)
主引用文献14-3-3 protein directly interacts with the kinase domain of calcium/calmodulin-dependent protein kinase kinase (CaMKK2).
Biochim. Biophys. Acta, 1862, 2018
4GEV
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BU of 4gev by Molmil
E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase
著者Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M.
登録日2012-08-02
公開日2012-08-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase.
J.Am.Chem.Soc., 134, 2012
6F45
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BU of 6f45 by Molmil
Crystal structure of the gp37-gp38 adhesin tip complex of the bacteriophage S16 long tail fiber
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, IMIDAZOLE, ...
著者Dunne, M, Leiman, P, Klumpp, J, Loessner, M.J.
登録日2017-11-29
公開日2018-08-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.70355821 Å)
主引用文献Salmonella Phage S16 Tail Fiber Adhesin Features a Rare Polyglycine Rich Domain for Host Recognition.
Structure, 26, 2018
4BLA
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BU of 4bla by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II)
分子名称: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG
著者Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L.
登録日2013-05-02
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013

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