5IHL
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1TTL
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![BU of 1ttl by Molmil](/molmil-images/mine/1ttl) | Omega-conotoxin GVIA, a N-type calcium channel blocker | Descriptor: | Omega-conotoxin GVIA | Authors: | Mould, J, Yasuda, T, Schroeder, C.I, Beedle, A.M, Doering, C.J, Zamponi, G.W, Adams, D.J, Lewis, R.J. | Deposit date: | 2004-06-23 | Release date: | 2004-07-13 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | The alpha2delta auxiliary subunit reduces affinity of omega-conotoxins for recombinant N-type (Cav2.2) calcium channels J.Biol.Chem., 279, 2004
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7ZT0
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![BU of 7zt0 by Molmil](/molmil-images/mine/7zt0) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-05-09 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7N8L
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7ZQR
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![BU of 7zqr by Molmil](/molmil-images/mine/7zqr) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 4-(4-methoxyphenyl)pyridine, CHLORIDE ION, GLYCEROL, ... | Authors: | Snee, M, Katariya, M, Tunnicliffe, R, Levy, C, Leys, D. | Deposit date: | 2022-05-02 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7ZXD
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![BU of 7zxd by Molmil](/molmil-images/mine/7zxd) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-05-20 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7N8E
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7ZSU
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![BU of 7zsu by Molmil](/molmil-images/mine/7zsu) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-05-09 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7N8M
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7ZW3
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7ZLZ
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![BU of 7zlz by Molmil](/molmil-images/mine/7zlz) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-04-17 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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6ZW1
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![BU of 6zw1 by Molmil](/molmil-images/mine/6zw1) | X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101 | Descriptor: | 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ... | Authors: | Barinka, C, Motlova, L, Ustinova, K. | Deposit date: | 2020-07-27 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | 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
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7ZL9
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![BU of 7zl9 by Molmil](/molmil-images/mine/7zl9) | Crystal structure of human GPCR Niacin receptor (HCA2) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, ... | Authors: | 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. | Deposit date: | 2022-04-14 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insights into the human niacin receptor HCA2-G i signalling complex. Nat Commun, 14, 2023
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7ZLY
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![BU of 7zly by Molmil](/molmil-images/mine/7zly) | Crystal structure of human GPCR Niacin receptor (HCA2) expressed from Spodoptera frugiperda | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, OLEIC ACID | Authors: | 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. | Deposit date: | 2022-04-17 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insights into the human niacin receptor HCA2-G i signalling complex. Nat Commun, 14, 2023
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1AMC
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7ZJ4
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![BU of 7zj4 by Molmil](/molmil-images/mine/7zj4) | Ligand bound state of a brocolli-pepper aptamer FRET tile | Descriptor: | 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, ... | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | Deposit date: | 2022-04-08 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (4.43 Å) | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding To Be Published
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1RWO
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![BU of 1rwo by Molmil](/molmil-images/mine/1rwo) | 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 | Descriptor: | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID, Interleukin-1 beta convertase | Authors: | Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T. | Deposit date: | 2003-12-16 | Release date: | 2004-12-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis of caspase-1 inhibitors derived from Tethering. Acta Crystallogr.,Sect.F, 61, 2005
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1BH7
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![BU of 1bh7 by Molmil](/molmil-images/mine/1bh7) | A LOW ENERGY STRUCTURE FOR THE FINAL CYTOPLASMIC LOOP OF BAND 3, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | BAND 3 | Authors: | Askin, D, Bloomberg, G.B, Chambers, E.J, Tanner, M.J.A. | Deposit date: | 1998-06-16 | Release date: | 1998-11-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR solution structure of a cytoplasmic surface loop of the human red cell anion transporter, band 3. Biochemistry, 37, 1998
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7ZSO
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![BU of 7zso by Molmil](/molmil-images/mine/7zso) | human purine nucleoside phosphorylase in complex with JS-554 | Descriptor: | GLYCEROL, Purine nucleoside phosphorylase, SODIUM ION, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-07 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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1BE1
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![BU of 1be1 by Molmil](/molmil-images/mine/1be1) | GLUTAMATE MUTASE (B12-BINDING SUBUNIT), NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | GLUTAMATE MUTASE | Authors: | Tollinger, M, Konrat, R, Hilbert, B.H, Marsh, E.N.G, Kraeutler, B. | Deposit date: | 1998-05-19 | Release date: | 1998-08-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | How a protein prepares for B12 binding: structure and dynamics of the B12-binding subunit of glutamate mutase from Clostridium tetanomorphum Structure, 6, 1998
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1S19
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![BU of 1s19 by Molmil](/molmil-images/mine/1s19) | Crystal structure of VDR ligand binding domain complexed to calcipotriol. | Descriptor: | CALCIPOTRIOL, Vitamin D3 receptor | Authors: | Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Moras, D. | Deposit date: | 2004-01-06 | Release date: | 2004-04-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
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6XSW
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![BU of 6xsw by Molmil](/molmil-images/mine/6xsw) | Structure of the Notch3 NRR in complex with an antibody Fab Fragment | Descriptor: | 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, ... | Authors: | Bard, J. | Deposit date: | 2020-07-16 | Release date: | 2021-07-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells. Cell Rep Med, 2, 2021
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1S56
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![BU of 1s56 by Molmil](/molmil-images/mine/1s56) | Crystal Structure of "Truncated" Hemoglobin N (HbN) from Mycobacterium tuberculosis, Soaked with Xe Atoms | Descriptor: | CYANIDE ION, HEME C, Hemoglobin-like protein HbN, ... | Authors: | Milani, M, Pesce, A, Ouellet, Y, Dewilde, S, Friedman, J, Ascenzi, P, Guertin, M, Bolognesi, M. | Deposit date: | 2004-01-20 | Release date: | 2004-06-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Heme-ligand tunneling in group I truncated hemoglobins J.Biol.Chem., 279, 2004
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1AXP
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![BU of 1axp by Molmil](/molmil-images/mine/1axp) | DNA DUPLEX CONTAINING A PURINE-RICH STRAND, NMR, 6 STRUCTURES | Descriptor: | DNA (D(GAAGAGAAGC)(DOT)D(GCTTCTCTTC)) | Authors: | Gyi, J.I, Lane, A.N, Conn, G.L, Brown, T. | Deposit date: | 1997-10-17 | Release date: | 1998-04-22 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structures of DNA.RNA hybrids with purine-rich and pyrimidine-rich strands: comparison with the homologous DNA and RNA duplexes. Biochemistry, 37, 1998
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7ZRB
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