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4B2G
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BU of 4b2g by Molmil
Crystal Structure of an Indole-3-Acetic Acid Amido Synthase from Vitis vinifera Involved in Auxin Homeostasis
分子名称: GH3-1 AUXIN CONJUGATING ENZYME, MALONATE ION, [(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1H-indol-3-yl)ethyl hydrogen phosphate
著者Peat, T.S, Bottcher, C, Newman, J, Lucent, D, Cowieson, N, Davies, C.
登録日2012-07-16
公開日2012-12-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of an Indole-3-Acetic Acid Amido Synthetase from Grapevine Involved in Auxin Homeostasis.
Plant Cell, 24, 2012
8ABX
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BU of 8abx by Molmil
Crystal structure of IDO1 in complex with Apoxidole-1
分子名称: Indoleamine 2,3-dioxygenase 1, O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate, ...
著者Dotsch, L, Ziegler, S, Waldmann, H, Gasper, R.
登録日2022-07-05
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification of a Novel Pseudo-Natural Product Type IV IDO1 Inhibitor Chemotype.
Angew.Chem.Int.Ed.Engl., 61, 2022
9MDZ
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BU of 9mdz by Molmil
anti-IL23R VHH
分子名称: GLYCEROL, anti-IL23R VHH
著者Kiefer, J.R, Koerber, J.T, Ota, N, Davies, C, Wallweber, H.A.
登録日2024-12-05
公開日2025-05-21
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Engineering a protease-stable, oral single-domain antibody to inhibit IL-23 signaling.
Proc.Natl.Acad.Sci.USA, 122, 2025
9MFG
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Complex of IL23 receptor and VHH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kiefer, J.R, Wallweber, H.A, Koerber, J.T, Ota, N, Davies, C.
登録日2024-12-09
公開日2025-05-21
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Engineering a protease-stable, oral single-domain antibody to inhibit IL-23 signaling.
Proc.Natl.Acad.Sci.USA, 122, 2025
5AAU
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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
5AAV
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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
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2024-11-06
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
2VGK
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BU of 2vgk by Molmil
Crystal structure of Actinomadura R39 DD-peptidase complexed with a peptidoglycan-mimetic cephalosporin
分子名称: (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, ...
著者Sauvage, E, kerff, F, Herman, R, Charlier, P.
登録日2007-11-14
公開日2008-11-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structures of Complexes of Bacterial Dd-Peptidases with Peptidoglycan-Mimetic Ligands: The Substrate Specificity Puzzle.
J.Mol.Biol., 381, 2008
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
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2024-11-06
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2024-11-06
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
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2024-10-23
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
8QZD
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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
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2024-10-23
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
1EG0
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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
2VGJ
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BU of 2vgj by Molmil
Crystal structure of Actinomadura R39 DD-peptidase complexed with a peptidoglycan-mimetic cephalosporin
分子名称: CEPHALOSPORIN, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, ...
著者Sauvage, E, kerff, F, Herman, R, Charlier, P.
登録日2007-11-14
公開日2008-11-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of Complexes of Bacterial Dd-Peptidases with Peptidoglycan-Mimetic Ligands: The Substrate Specificity Puzzle.
J.Mol.Biol., 381, 2008
2NAZ
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BU of 2naz by Molmil
The solution NMR structure of the C-terminal effector domain of BfmR from Acinetobacter baumannii
分子名称: Transcriptional regulatory protein RstA
著者Olson, A.L, Thompson, R.J, Cavanagh, J, Feldmann, E.A, Bobay, B.G.
登録日2016-01-15
公開日2017-01-18
最終更新日2024-05-15
実験手法SOLUTION NMR
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
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2024-10-16
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
1XF4
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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2024-10-30
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
487D
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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2024-11-13
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
1XF2
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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2024-10-30
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
1CQU
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SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF RIBOSOMAL PROTEIN L9
分子名称: 50S RIBOSOMAL PROTEIN L9
著者Hua, Y, Kuhlman, B, Hoffman, D, Raleigh, D.P.
登録日1999-08-11
公開日2002-04-27
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Effects of varying the local propensity to form secondary structure on the stability and folding kinetics of a rapid folding mixed alpha/beta protein: characterization of a truncation mutant of the N-terminal domain of the ribosomal protein L9.
J.Mol.Biol., 289, 1999
1FKA
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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

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