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1FKA
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BU of 1fka by Molmil
STRUCTURE OF FUNCTIONALLY ACTIVATED SMALL RIBOSOMAL SUBUNIT AT 3.3 A RESOLUTION
分子名称: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
著者Schluenzen, F, Tocilj, A, Zarivach, R, Harms, J, Gluehmann, M, Janell, D, Bashan, A, Bartels, H, Agmon, I, Franceschi, F, Yonath, A.
登録日2000-08-09
公開日2000-09-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of functionally activated small ribosomal subunit at 3.3 angstroms resolution.
Cell(Cambridge,Mass.), 102, 2000
4MUW
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BU of 4muw by Molmil
Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor
分子名称: 2-{4-[(6,7-difluoro-1H-benzimidazol-2-yl)amino]phenoxy}-N-methyl-3,4'-bipyridin-2'-amine, GLYCEROL, SULFATE ION, ...
著者Chmait, S, Jordan, S.
登録日2013-09-23
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.639 Å)
主引用文献Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
4MVH
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BU of 4mvh by Molmil
Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor
分子名称: 1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone, SULFATE ION, ZINC ION, ...
著者Chmait, S, Jordan, S.
登録日2013-09-24
公開日2013-10-23
最終更新日2014-01-15
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
5AAV
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BU of 5aav by Molmil
Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
分子名称: (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, ESTROGEN RECEPTOR
著者Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z.
登録日2015-07-29
公開日2015-10-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
5AAU
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BU of 5aau by Molmil
Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
分子名称: 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid, ESTROGEN RECEPTOR
著者Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z.
登録日2015-07-28
公開日2015-10-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
3Q2G
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BU of 3q2g by Molmil
Adamts1 in complex with a novel N-hydroxyformamide inhibitors
分子名称: A disintegrin and metalloproteinase with thrombospondin motifs 1, CADMIUM ION, MAGNESIUM ION, ...
著者Gerhardt, S, Hargreaves, D.
登録日2010-12-20
公開日2011-03-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Bioorg.Med.Chem.Lett., 21, 2011
3Q2H
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BU of 3q2h by Molmil
Adamts1 in complex with N-hydroxyformamide inhibitors of ADAM-TS4
分子名称: A disintegrin and metalloproteinase with thrombospondin motifs 1, CADMIUM ION, MAGNESIUM ION, ...
著者Gerhardt, S, Hargreaves, D.
登録日2010-12-20
公開日2011-03-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Bioorg.Med.Chem.Lett., 21, 2011
4TPM
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BU of 4tpm by Molmil
Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A Inhibitors
分子名称: GLYCEROL, SULFATE ION, ZINC ION, ...
著者Chmait, S.
登録日2014-06-08
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
7SOL
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BU of 7sol by Molmil
Crystal Structures of the bispecific ubiquitin/FAT10 activating enzyme, Uba6
分子名称: ADENOSINE MONOPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Ubiquitin, ...
著者Olsen, S.K, Gao, F, Lv, Z.
登録日2021-10-31
公開日2022-11-02
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.25000644 Å)
主引用文献Crystal structures reveal catalytic and regulatory mechanisms of the dual-specificity ubiquitin/FAT10 E1 enzyme Uba6.
Nat Commun, 13, 2022
7UVF
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BU of 7uvf by Molmil
Crystal structure of ZED8 Fab complex with CD8 alpha
分子名称: CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ...
著者Yu, C, Davies, C, Koerber, J.T, Williams, S.
登録日2022-05-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy.
Eur J Nucl Med Mol Imaging, 50, 2023
6Z46
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BU of 6z46 by Molmil
Structure of the S. acidocaldarius 20S proteasome (Saci0613/Saci0662)
分子名称: Proteasome subunit alpha, Proteasome subunit beta
著者Robinson, N.P, Bray, S.M.
登録日2020-05-22
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.698 Å)
主引用文献The proteasome controls ESCRT-III-mediated cell division in an archaeon.
Science, 369, 2020
1EG0
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BU of 1eg0 by Molmil
FITTING OF COMPONENTS WITH KNOWN STRUCTURE INTO AN 11.5 A CRYO-EM MAP OF THE E.COLI 70S RIBOSOME
分子名称: FORMYL-METHIONYL-TRNA, FRAGMENT OF 16S RRNA HELIX 23, FRAGMENT OF 23S RRNA, ...
著者Gabashvili, I.S, Agrawal, R.K, Spahn, C.M.T, Grassucci, R.A, Svergun, D.I, Frank, J, Penczek, P.
登録日2000-02-11
公開日2000-03-06
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (11.5 Å)
主引用文献Solution structure of the E. coli 70S ribosome at 11.5 A resolution.
Cell(Cambridge,Mass.), 100, 2000
487D
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BU of 487d by Molmil
SEVEN RIBOSOMAL PROTEINS FITTED TO A CRYO-ELECTRON MICROSCOPIC MAP OF THE LARGE 50S SUBUNIT AT 7.5 ANGSTROMS RESOLUTION
分子名称: 50S ribosomal protein L1, 50S ribosomal protein L11, 50S ribosomal protein L14, ...
著者Brimacombe, R, Mueller, F.
登録日2000-02-23
公開日2000-04-10
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献The 3D arrangement of the 23 S and 5 S rRNA in the Escherichia coli 50 S ribosomal subunit based on a cryo-electron microscopic reconstruction at 7.5 A resolution.
J.Mol.Biol., 298, 2000
4P0N
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BU of 4p0n by Molmil
Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor
分子名称: GLYCEROL, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, ...
著者Chmait, S.
登録日2014-02-21
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
1XF3
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BU of 1xf3 by Molmil
Structure of ligand-free Fab DNA-1 in space group P65
分子名称: Fab Light chain, Fab heavy chain
著者Schuermann, J.P, Prewitt, S.P, Deutscher, S.L, Tanner, J.J.
登録日2004-09-13
公開日2005-04-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evidence for Structural Plasticity of Heavy Chain Complementarity-determining Region 3 in Antibody-ssDNA Recognition
J.Mol.Biol., 347, 2005
1XF2
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BU of 1xf2 by Molmil
Structure of Fab DNA-1 complexed with dT3
分子名称: 5'-D(*TP*TP*T)-3', SULFATE ION, antibody heavy chain Fab, ...
著者Schuermann, J.P, Prewitt, S.P, Deutscher, S.L, Tanner, J.J.
登録日2004-09-13
公開日2005-04-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evidence for Structural Plasticity of Heavy Chain Complementarity-determining Region 3 in Antibody-ssDNA Recognition
J.Mol.Biol., 347, 2005
4P1R
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BU of 4p1r by Molmil
Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors
分子名称: GLYCEROL, N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine, SULFATE ION, ...
著者Chmait, S.
登録日2014-02-27
公開日2014-07-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
1XF4
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BU of 1xf4 by Molmil
Structure of ligand-free Fab DNA-1 in space group P321 solved from crystals with perfect hemihedral twinning
分子名称: Fab heavy chain, Fab light chain, SULFATE ION
著者Schuermann, J.P, Prewitt, S.P, Deutscher, S.L, Tanner, J.J.
登録日2004-09-13
公開日2005-04-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evidence for Structural Plasticity of Heavy Chain Complementarity-determining Region 3 in Antibody-ssDNA Recognition
J.Mol.Biol., 347, 2005
8QZD
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BU of 8qzd by Molmil
Soluble epoxide hydrolase in complex with Epoxykinin
分子名称: 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ...
著者Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-10-27
公開日2024-02-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator.
J.Med.Chem., 67, 2024
7JQD
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BU of 7jqd by Molmil
Crystal Structure of PAC1r in complex with peptide antagonist
分子名称: Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor
著者Piper, D.E, Hu, E, Fang-Tsao, H.
登録日2020-08-10
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model.
J.Med.Chem., 64, 2021
7L0N
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BU of 7l0n by Molmil
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D.
登録日2020-12-11
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
1QD7
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BU of 1qd7 by Molmil
PARTIAL MODEL FOR 30S RIBOSOMAL SUBUNIT
分子名称: CENTRAL FRAGMENT OF 16 S RNA, END FRAGMENT OF 16 S RNA, S15 RIBOSOMAL PROTEIN, ...
著者Clemons Jr, W.M, May, J.L.C, Wimberly, B.T, McCutcheon, J.P, Capel, M.S, Ramakrishnan, V.
登録日1999-07-09
公開日1999-08-31
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Structure of a bacterial 30S ribosomal subunit at 5.5 A resolution.
Nature, 400, 1999
6CWZ
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BU of 6cwz by Molmil
Crystal structure of apo SUMO E1
分子名称: SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ZINC ION
著者Lv, Z, Yuan, L, Atkison, J.H, Williams, K.M, Olsen, S.K.
登録日2018-04-01
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme.
Nat Commun, 9, 2018
6CWY
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BU of 6cwy by Molmil
Crystal structure of SUMO E1 in complex with an allosteric inhibitor
分子名称: GLYCEROL, MAGNESIUM ION, SULFATE ION, ...
著者Lv, Z, Yuan, L, Atkison, J.H, Williams, K.M, Olsen, S.K.
登録日2018-04-01
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.462 Å)
主引用文献Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme.
Nat Commun, 9, 2018
6BR7
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BU of 6br7 by Molmil
Beryllium fluorinated receiver domain of BfmR from Acinetobacter baumannii
分子名称: BERYLLIUM TRIFLUORIDE ION, BfmR, MAGNESIUM ION
著者Milton, M.E, Cavanagh, J.
登録日2017-11-30
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The Structure of the Biofilm-controlling Response Regulator BfmR from Acinetobacter baumannii Reveals Details of Its DNA-binding Mechanism.
J. Mol. Biol., 430, 2018

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