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5IHL
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STRUCTURE OF THE EXTRACELLULAR DOMAIN OF THE CD40 IN COMPLEX WITH 3H56-5 DAB
分子名称: 3H56-5 domain antibody (dAb), SULFATE ION, Tumor necrosis factor receptor superfamily member 5
著者Sheriff, S.
登録日2016-02-29
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
1TTL
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Omega-conotoxin GVIA, a N-type calcium channel blocker
分子名称: Omega-conotoxin GVIA
著者Mould, J, Yasuda, T, Schroeder, C.I, Beedle, A.M, Doering, C.J, Zamponi, G.W, Adams, D.J, Lewis, R.J.
登録日2004-06-23
公開日2004-07-13
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献The alpha2delta auxiliary subunit reduces affinity of omega-conotoxins for recombinant N-type (Cav2.2) calcium channels
J.Biol.Chem., 279, 2004
7ZT0
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BU of 7zt0 by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-05-09
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7N8L
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PptT PAP(CoA) 9016 complex
分子名称: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2021-06-15
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7ZQR
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Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 4-(4-methoxyphenyl)pyridine, CHLORIDE ION, GLYCEROL, ...
著者Snee, M, Katariya, M, Tunnicliffe, R, Levy, C, Leys, D.
登録日2022-05-02
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7ZXD
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Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-05-20
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7N8E
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PptT PAP(CoA) 9056 complex
分子名称: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2021-06-14
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7N8M
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BU of 7n8m by Molmil
PptT PAP(CoA) 8978B complex
分子名称: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2021-06-15
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7ZSU
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BU of 7zsu by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-05-09
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7ZW3
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BU of 7zw3 by Molmil
Crystal Structure of human MAO B in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide (inhibitor 19)
分子名称: 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Binda, C, Gottinger, A.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
7ZLZ
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BU of 7zlz by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-04-17
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
6ZW1
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BU of 6zw1 by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101
分子名称: 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ...
著者Barinka, C, Motlova, L, Ustinova, K.
登録日2020-07-27
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model.
J.Med.Chem., 64, 2021
7ZL9
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BU of 7zl9 by Molmil
Crystal structure of human GPCR Niacin receptor (HCA2)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, ...
著者Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, Han, G.W, FiBerto, J.F, Wu, L.J, Tong, J.H, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J.
登録日2022-04-14
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
7ZLY
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Crystal structure of human GPCR Niacin receptor (HCA2) expressed from Spodoptera frugiperda
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, OLEIC ACID
著者Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, FiBerto, J.F, Wu, L.J, Tong, J.H, Han, G.W, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J.
登録日2022-04-17
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
1AMC
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BU of 1amc by Molmil
SOLUTION STRUCTURE OF RESIDUES 1-28 OF THE AMYLOID BETA-PEPTIDE
分子名称: AMYLOID BETA-PEPTIDE
著者Talafous, J, Marcinowski, K.J, Klopman, G, Zagorski, M.G.
登録日1994-11-14
公開日1995-01-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of residues 1-28 of the amyloid beta-peptide.
Biochemistry, 33, 1994
7ZJ4
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BU of 7zj4 by Molmil
Ligand bound state of a brocolli-pepper aptamer FRET tile
分子名称: 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, POTASSIUM ION, ...
著者McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S.
登録日2022-04-08
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
1RWO
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BU of 1rwo by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid
分子名称: 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID, Interleukin-1 beta convertase
著者Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T.
登録日2003-12-16
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1BH7
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BU of 1bh7 by Molmil
A LOW ENERGY STRUCTURE FOR THE FINAL CYTOPLASMIC LOOP OF BAND 3, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: BAND 3
著者Askin, D, Bloomberg, G.B, Chambers, E.J, Tanner, M.J.A.
登録日1998-06-16
公開日1998-11-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR solution structure of a cytoplasmic surface loop of the human red cell anion transporter, band 3.
Biochemistry, 37, 1998
7ZSO
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BU of 7zso by Molmil
human purine nucleoside phosphorylase in complex with JS-554
分子名称: GLYCEROL, Purine nucleoside phosphorylase, SODIUM ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
1BE1
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BU of 1be1 by Molmil
GLUTAMATE MUTASE (B12-BINDING SUBUNIT), NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: GLUTAMATE MUTASE
著者Tollinger, M, Konrat, R, Hilbert, B.H, Marsh, E.N.G, Kraeutler, B.
登録日1998-05-19
公開日1998-08-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献How a protein prepares for B12 binding: structure and dynamics of the B12-binding subunit of glutamate mutase from Clostridium tetanomorphum
Structure, 6, 1998
1S19
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Crystal structure of VDR ligand binding domain complexed to calcipotriol.
分子名称: CALCIPOTRIOL, Vitamin D3 receptor
著者Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Moras, D.
登録日2004-01-06
公開日2004-04-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor antagonist by further side chain modification.
J.Med.Chem., 47, 2004
6XSW
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BU of 6xsw by Molmil
Structure of the Notch3 NRR in complex with an antibody Fab Fragment
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, Anti-N3 Fab Heavy Chain, ...
著者Bard, J.
登録日2020-07-16
公開日2021-07-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells.
Cell Rep Med, 2, 2021
1S56
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BU of 1s56 by Molmil
Crystal Structure of "Truncated" Hemoglobin N (HbN) from Mycobacterium tuberculosis, Soaked with Xe Atoms
分子名称: CYANIDE ION, HEME C, Hemoglobin-like protein HbN, ...
著者Milani, M, Pesce, A, Ouellet, Y, Dewilde, S, Friedman, J, Ascenzi, P, Guertin, M, Bolognesi, M.
登録日2004-01-20
公開日2004-06-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Heme-ligand tunneling in group I truncated hemoglobins
J.Biol.Chem., 279, 2004
1AXP
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DNA DUPLEX CONTAINING A PURINE-RICH STRAND, NMR, 6 STRUCTURES
分子名称: DNA (D(GAAGAGAAGC)(DOT)D(GCTTCTCTTC))
著者Gyi, J.I, Lane, A.N, Conn, G.L, Brown, T.
登録日1997-10-17
公開日1998-04-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structures of DNA.RNA hybrids with purine-rich and pyrimidine-rich strands: comparison with the homologous DNA and RNA duplexes.
Biochemistry, 37, 1998
7ZRB
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Crystal structure of Beta-catenin Armadillo repeats domain in complex with the inhibitor RS6452
分子名称: 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide, Catenin beta-1
著者Capelli, D, Pochetti, G, Montanari, R.
登録日2022-05-04
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.434 Å)
主引用文献Novel N -(Heterocyclylphenyl)benzensulfonamide Sharing an Unreported Binding Site with T-Cell Factor 4 at the beta-Catenin Armadillo Repeats Domain as an Anticancer Agent.
Acs Pharmacol Transl Sci, 6, 2023

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