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2FZ8
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Human Aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking).
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
著者Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G.
登録日2006-02-09
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
2FN4
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BU of 2fn4 by Molmil
The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein R-Ras
著者Turnbull, A.P, Elkins, J.M, Gileadi, C, Burgess, N, Salah, E, Papagrigoriou, E, Debreczeni, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-01-10
公開日2006-01-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
To be Published
2FYT
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Human HMT1 hnRNP methyltransferase-like 3 (S. cerevisiae) protein
分子名称: Protein arginine N-methyltransferase 3, S-ADENOSYL-L-HOMOCYSTEINE
著者Min, J.R, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-02-08
公開日2006-03-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of Human HMT1 hnRNP methyltransferase-like 3 in complex with SAH.
To be Published
2FZD
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BU of 2fzd by Molmil
Human aldose reductase complexed with tolrestat at 1.08 A resolution.
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT, aldose reductase
著者Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G.
登録日2006-02-09
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
2FZ9
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Human Aldose Reductase complexed with inhibitor zopolrestat after six days soaking.
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
著者Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G.
登録日2006-02-09
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
2FXF
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BU of 2fxf by Molmil
Human spermidine/spermine N1-acetyltransferase
分子名称: ACETATE ION, ACETYL COENZYME *A, CALCIUM ION, ...
著者Min, J.R, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-02-05
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of Human spermidine/spermine N1-acetyltransferase
To be Published
1W9A
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BU of 1w9a by Molmil
Crystal structure of Rv1155 from Mycobacterium tuberculosis
分子名称: PUTATIVE PYRIDOXINE/PYRIDOXAMINE 5'-PHOSPHATE OXIDASE
著者Cannan, S, Sulzenbacher, G, Roig-Zamboni, V, Scappuccini, L, Frassinetti, F, Maurien, D, Cambillau, C, Bourne, Y.
登録日2004-10-07
公開日2005-01-06
最終更新日2013-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Conserved Hypothetical Protein Rv1155 from Mycobacterium Tuberculosis
FEBS Lett., 579, 2005
7NEV
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BU of 7nev by Molmil
Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2021-02-05
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
8DYS
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BU of 8dys by Molmil
Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A)
分子名称: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 2A, GLYCEROL, ...
著者Righetto, G.L, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-08-05
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A)
To Be Published
6YX5
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BU of 6yx5 by Molmil
Structure of DrrA from Legionella pneumophilia in complex with human Rab8a
分子名称: MAGNESIUM ION, Multifunctional virulence effector protein DrrA, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Schneider, S, Du, J, von Wrisberg, M.K, Lang, K, Itzen, A.
登録日2020-04-30
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Rab1-AMPylation by Legionella DrrA is allosterically activated by Rab1.
Nat Commun, 12, 2021
6ZJ3
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BU of 6zj3 by Molmil
Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis
分子名称: 18S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Matzov, D, Halfon, H, Zimmerman, E, Rozenberg, H, Bashan, A, Gray, M.W, Yonath, A.E, Shalev-Benami, M.
登録日2020-06-27
公開日2020-10-07
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis.
Nucleic Acids Res., 48, 2020
4U67
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BU of 4u67 by Molmil
Crystal structure of the large ribosomal subunit (50S) of Deinococcus radiodurans containing a three residue insertion in L22
分子名称: 23s RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.
登録日2014-07-28
公開日2015-08-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献The Ribosomal Protein uL22 Modulates the Shape of the Protein Exit Tunnel.
Structure, 25, 2017
6Z0S
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BU of 6z0s by Molmil
Allostery through DNA drives phenotype switching
分子名称: comG promoter DNA - strand A, comG promoter DNA - strand B
著者Rosenblum, G, Elad, N, Rozenberg, H, Wiggers, F, Jungwirth, J, Hofmann, H.
登録日2020-05-11
公開日2021-04-07
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Allostery through DNA drives phenotype switching.
Nat Commun, 12, 2021
8EMB
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BU of 8emb by Molmil
X-ray crystal structure of Thermosynechococcus elongatus Si3 domain of RNA polymerase RpoC2 subunit
分子名称: DNA-directed RNA polymerase subunit beta'
著者Murakami, K.S, Imashimizu, M, Qayyum, M.Z, Vishwakarma, R.K, Yuzenkova, Y.
登録日2022-09-27
公開日2022-11-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structure and function of the Si3 insertion integrated into the trigger loop/helix of cyanobacterial RNA polymerase.
Proc.Natl.Acad.Sci.USA, 121, 2024
7NZW
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BU of 7nzw by Molmil
Crystal structure of chimeric carbonic anhydrase VA with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
分子名称: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-03-24
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of chimeric carbonic anhydrase VA
To Be Published
8RS9
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BU of 8rs9 by Molmil
p97 (VCP) double mutant - F266A F539A
分子名称: Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2024-01-24
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献p97 (VCP) double mutant - F266A F539A
To Be Published
8RSB
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p97 (VCP) mutant - F539A ADP state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2024-01-24
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献p97 (VCP) mutant - F539A ADP state
To Be Published
8RSC
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BU of 8rsc by Molmil
p97 (VCP) mutant - F539A
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2024-01-24
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献p97 (VCP) mutant - F539A
To Be Published
6DK3
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BU of 6dk3 by Molmil
HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2
分子名称: Serine hydroxymethyltransferase, mitochondrial, UNKNOWN ATOM OR ION
著者Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2018-05-28
公開日2018-06-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2
to be published
8SYI
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BU of 8syi by Molmil
Cyanobacterial RNAP-EC
分子名称: DNA (37-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Qayyum, M.Z, Imashimizu, M, Leanca, M, Vishwakarma, R.K, Bradley Riaz, A, Yuzenkova, Y, Murakami, K.S.
登録日2023-05-25
公開日2023-07-05
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structure and function of the Si3 insertion integrated into the trigger loop/helix of cyanobacterial RNA polymerase.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T55
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Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
分子名称: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-06-12
公開日2023-07-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
7NE7
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BU of 7ne7 by Molmil
oligopeptidase B from S. proteomaculans with modified hinge region in complex with N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
分子名称: N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, Oligopeptidase B, SPERMINE
著者Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I.
登録日2021-02-03
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Crystal Structure of N alpha-p-tosyl-lysyl Chloromethylketone-Bound Oligopeptidase B from Serratia Proteamaculans Revealed a New Type of Inhibitor Binding
Crystals, 11, 2021
3JTD
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BU of 3jtd by Molmil
Calcium-free Scallop Myosin Regulatory Domain with ELC-D19A Point Mutation
分子名称: MAGNESIUM ION, Myosin essential light chain, striated adductor muscle, ...
著者Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C.
登録日2009-09-11
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The on-off switch in regulated myosins: different triggers but related mechanisms.
J.Mol.Biol., 394, 2009
6K5U
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BU of 6k5u by Molmil
Crystal structure of the myb domain of S. pombe Tbf1
分子名称: Telomeric DNA-binding factor trf1
著者Zhou, Y.Z, Wang, N.N, Zhao, Y.C, Zeng, Z.X.
登録日2019-05-31
公開日2020-06-03
実験手法X-RAY DIFFRACTION (2.079 Å)
主引用文献Crystal structure of the myb domain of S. pombe Tbf1
To Be Published
2Y0J
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Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2, Lead-optimisation.
分子名称: 5-(1H-BENZIMIDAZOL-2-YLMETHYLSULFANYL)-2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
著者Kehler, J, Ritzen, A, Langgard, M, Petersen, S.L, Christoffersen, C.T, Nielsen, J, Kilburn, J.P.
登録日2010-12-03
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Triazoloquinazolines as a Novel Class of Phosphodiesterase 10A (Pde10A) Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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