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6SFR
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BU of 6sfr by Molmil
SOS1 in Complex with Inhibitor BI-68BS
分子名称: 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1
著者Kessler, D, Fischer, G, Ramharter, J.
登録日2019-08-02
公開日2020-08-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
6SCM
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BU of 6scm by Molmil
SOS1 in Complex with Inhibitor BI-3406
分子名称: 1,2-ETHANEDIOL, IMIDAZOLE, Son of sevenless homolog 1, ...
著者Kessler, D, Fischer, G, Ramharter, J.
登録日2019-07-24
公開日2020-08-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
6SMW
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BU of 6smw by Molmil
A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with pemetrexed
分子名称: 1,2-ETHANEDIOL, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PYRIDOXAL-5'-PHOSPHATE, ...
著者Ruszkowski, M, Sekula, B, Dauter, Z.
登録日2019-08-23
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
3GTU
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BU of 3gtu by Molmil
LIGAND-FREE HETERODIMERIC HUMAN GLUTATHIONE S-TRANSFERASE M2-3 (EC 2.5.1.18), MONOCLINIC CRYSTAL FORM
分子名称: GLUTATHIONE S-TRANSFERASE
著者Patskovsky, Y.V, Patskovska, L.N, Listowsky, I.
登録日1998-07-29
公開日1999-07-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An asparagine-phenylalanine substitution accounts for catalytic differences between hGSTM3-3 and other human class mu glutathione S-transferases.
Biochemistry, 38, 1999
6SMR
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BU of 6smr by Molmil
A. thaliana serine hydroxymethyltransferase isoform 4 (AtSHMT4) in complex with methotrexate
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, METHOTREXATE, ...
著者Ruszkowski, M, Sekula, B, Dauter, Z.
登録日2019-08-22
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
6TV7
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BU of 6tv7 by Molmil
Crystal structure of rsGCaMP in the OFF state (illuminated)
分子名称: CALCIUM ION, SODIUM ION, rsGCaMP
著者Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D.
登録日2020-01-09
公開日2021-10-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 2021
6SMN
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BU of 6smn by Molmil
A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with methotrexate
分子名称: 1,2-ETHANEDIOL, METHOTREXATE, SERINE, ...
著者Ruszkowski, M, Sekula, B, Dauter, Z.
登録日2019-08-22
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
7KL7
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BU of 7kl7 by Molmil
Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase
分子名称: Phosphoribosyltransferase, SULFATE ION
著者Guddat, L.W, Keough, D.T.
登録日2020-10-29
公開日2021-05-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase-A Putative Target for Drug Discovery against Gastrointestinal Tract Infections.
J.Med.Chem., 64, 2021
7KL6
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BU of 7kl6 by Molmil
Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase
分子名称: (3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid, Phosphoribosyltransferase, SULFATE ION
著者Guddat, L.W, Keough, D.T.
登録日2020-10-29
公開日2021-05-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase-A Putative Target for Drug Discovery against Gastrointestinal Tract Infections.
J.Med.Chem., 64, 2021
2XQN
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BU of 2xqn by Molmil
Complex of the 2nd and 3rd LIM domains of TES with the EVH1 DOMAIN of MENA and the N-Terminal domain of actin-like protein Arp7A
分子名称: ACTIN-LIKE PROTEIN 7A, ENABLED HOMOLOG, TESTIN, ...
著者Knowles, P.P, Briggs, D.C, Murray-Rust, J, McDonald, N.Q.
登録日2010-09-03
公開日2011-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Molecular recognition of the Tes LIM2-3 domains by the actin-related protein Arp7A.
J. Biol. Chem., 286, 2011
3B6S
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BU of 3b6s by Molmil
Crystal Structure of hla-b*2705 Complexed with the Citrullinated Vasoactive Intestinal Peptide Type 1 Receptor (vipr) Peptide (residues 400-408)
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
著者Beltrami, A, Rossmann, M, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, A.
登録日2007-10-29
公開日2008-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Citrullination-dependent Differential Presentation of a Self-peptide by HLA-B27 Subtypes.
J.Biol.Chem., 283, 2008
3BIF
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BU of 3bif by Molmil
6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE EMPTY 6-PF-2K ACTIVE SITE
分子名称: PHOSPHATE ION, PROTEIN (6-PHOSPHOFRUCTO-2-KINASE/ FRUCTOSE-2,6-BISPHOSPHATASE), SUCCINIC ACID, ...
著者Yuen, M.H, Hasemann, C.A.
登録日1999-05-05
公開日1999-09-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A switch in the kinase domain of rat testis 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase.
Biochemistry, 38, 1999
6FLL
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BU of 6fll by Molmil
SPECTROSCOPIC AND STRUCTURAL STUDY OF QW, A EGFP MUTANT SHOWING PHOTOSWITCHING PROPERTIES
分子名称: Green fluorescent protein
著者Garau, G, Margheritis, E.
登録日2018-01-26
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Role of Gln222 in Photoswitching of Aequorea Fluorescent Proteins: A Twisting and H-Bonding Affair?
Acs Chem.Biol., 13, 2018
6FL5
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BU of 6fl5 by Molmil
Structure of human SHMT1-H135N-R137A-E168N mutant at 3.6 Ang. resolution
分子名称: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, ...
著者Giardina, G, Cutruzzola, F, Lucchi, R.
登録日2018-01-25
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The catalytic activity of serine hydroxymethyltransferase is essential for de novo nuclear dTMP synthesis in lung cancer cells.
FEBS J., 285, 2018
1G9U
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BU of 1g9u by Molmil
CRYSTAL STRUCTURE OF YOPM-LEUCINE RICH EFFECTOR PROTEIN FROM YERSINIA PESTIS
分子名称: ACETATE ION, CALCIUM ION, MERCURY (II) ION, ...
著者Evdokimov, A.G, Anderson, D.E, Routzahn, K.M, Waugh, D.S.
登録日2000-11-28
公開日2001-10-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Unusual molecular architecture of the Yersinia pestis cytotoxin YopM: a leucine-rich repeat protein with the shortest repeating unit.
J.Mol.Biol., 312, 2001
2CBM
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BU of 2cbm by Molmil
Crystal structure of the apo-form of a neocarzinostatin mutant evolved to bind testosterone.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NEOCARZINOSTATIN
著者Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, Van Tilbeurgh, H, Minard, P.
登録日2006-01-06
公開日2006-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways.
J.Mol.Biol., 358, 2006
3DTX
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BU of 3dtx by Molmil
Crystal structure of HLA-B*2705 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408)
分子名称: Beta-2-microglobulin, Double citrullinated vasoactive intestinal polypeptide receptor, MHC class I antigen (Fragment)
著者Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W.
登録日2008-07-16
公開日2009-05-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Citrullination-and mhc polymorphism-dependent conformational changes of a self peptide
To be Published
3HCV
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BU of 3hcv by Molmil
Crystal structure of HLA-B*2709 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408)
分子名称: Beta-2-microglobulin, DOUBLE CITRULLINATED VASOACTIVE INTESTINAL POLYPEPTIDE RECEPTOR, HLA class I histocompatibility antigen, ...
著者Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W.
登録日2009-05-06
公開日2009-06-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Citrullination-and mhc polymorphism-dependent conformational changes of a self peptide
To be Published
1IOP
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BU of 1iop by Molmil
INCORPORATION OF A HEMIN WITH THE SHORTEST ACID SIDE-CHAINS INTO MYOGLOBIN
分子名称: 6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHYLHEMIN, CYANIDE ION, MYOGLOBIN, ...
著者Igarashi, N, Neya, S, Funasaki, N, Tanaka, N.
登録日1997-12-12
公開日1998-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of 6,7-dicarboxyheme-substituted myoglobin
Biochemistry, 37, 1998
5KYJ
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BU of 5kyj by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5KYA
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BU of 5kya by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
2WQ2
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BU of 2wq2 by Molmil
GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating iodide
分子名称: GENERAL CONTROL PROTEIN GCN4, IODIDE ION
著者Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
登録日2009-08-12
公開日2009-11-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WQ3
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BU of 2wq3 by Molmil
GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating chloride and nitrate
分子名称: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, NITRATE ION
著者Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
登録日2009-08-12
公開日2009-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WPZ
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BU of 2wpz by Molmil
GCN4 leucine zipper mutant with two VxxNxxx motifs coordinating chloride
分子名称: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4
著者Zeth, K, Hartmann, M.D, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B.
登録日2009-08-12
公開日2009-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WPQ
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BU of 2wpq by Molmil
Salmonella enterica SadA 479-519 fused to GCN4 adaptors (SadAK3, in- register fusion)
分子名称: CHLORIDE ION, NITRATE ION, TRIMERIC AUTOTRANSPORTER ADHESIN FRAGMENT
著者Hartmann, M.D, Hernandez Alvarez, B, Albrecht, R, Zeth, K, Lupas, A.N.
登録日2009-08-09
公開日2009-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009

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