2FZ8
 
 | | Human Aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking). | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | | Authors: | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | | Deposit date: | 2006-02-09 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | 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
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2FN4
 | | The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein R-Ras | | Authors: | 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) | | Deposit date: | 2006-01-10 | | Release date: | 2006-01-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
To be Published
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2FYT
 | | Human HMT1 hnRNP methyltransferase-like 3 (S. cerevisiae) protein | | Descriptor: | Protein arginine N-methyltransferase 3, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | 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) | | Deposit date: | 2006-02-08 | | Release date: | 2006-03-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of Human HMT1 hnRNP
methyltransferase-like 3 in complex with SAH.
To be Published
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2FZD
 | | Human aldose reductase complexed with tolrestat at 1.08 A resolution. | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT, aldose reductase | | Authors: | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | | Deposit date: | 2006-02-09 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | 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
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2FZ9
 | | Human Aldose Reductase complexed with inhibitor zopolrestat after six days soaking. | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | | Authors: | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | | Deposit date: | 2006-02-09 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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
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2FXF
 | | Human spermidine/spermine N1-acetyltransferase | | Descriptor: | ACETATE ION, ACETYL COENZYME *A, CALCIUM ION, ... | | Authors: | 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) | | Deposit date: | 2006-02-05 | | Release date: | 2006-02-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of Human spermidine/spermine
N1-acetyltransferase
To be Published
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1W9A
 | | Crystal structure of Rv1155 from Mycobacterium tuberculosis | | Descriptor: | PUTATIVE PYRIDOXINE/PYRIDOXAMINE 5'-PHOSPHATE OXIDASE | | Authors: | Cannan, S, Sulzenbacher, G, Roig-Zamboni, V, Scappuccini, L, Frassinetti, F, Maurien, D, Cambillau, C, Bourne, Y. | | Deposit date: | 2004-10-07 | | Release date: | 2005-01-06 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Conserved Hypothetical Protein Rv1155 from Mycobacterium Tuberculosis
FEBS Lett., 579, 2005
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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | 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. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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8DYS
 | | Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A) | | Descriptor: | 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 2A, GLYCEROL, ... | | Authors: | 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) | | Deposit date: | 2022-08-05 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A)
To Be Published
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6YX5
 | | Structure of DrrA from Legionella pneumophilia in complex with human Rab8a | | Descriptor: | MAGNESIUM ION, Multifunctional virulence effector protein DrrA, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Schneider, S, Du, J, von Wrisberg, M.K, Lang, K, Itzen, A. | | Deposit date: | 2020-04-30 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Rab1-AMPylation by Legionella DrrA is allosterically activated by Rab1.
Nat Commun, 12, 2021
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6ZJ3
 | | Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis | | Descriptor: | 18S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Matzov, D, Halfon, H, Zimmerman, E, Rozenberg, H, Bashan, A, Gray, M.W, Yonath, A.E, Shalev-Benami, M. | | Deposit date: | 2020-06-27 | | Release date: | 2020-10-07 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis.
Nucleic Acids Res., 48, 2020
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4U67
 | | Crystal structure of the large ribosomal subunit (50S) of Deinococcus radiodurans containing a three residue insertion in L22 | | Descriptor: | 23s RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A. | | Deposit date: | 2014-07-28 | | Release date: | 2015-08-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | The Ribosomal Protein uL22 Modulates the Shape of the Protein Exit Tunnel.
Structure, 25, 2017
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6Z0S
 | | Allostery through DNA drives phenotype switching | | Descriptor: | comG promoter DNA - strand A, comG promoter DNA - strand B | | Authors: | Rosenblum, G, Elad, N, Rozenberg, H, Wiggers, F, Jungwirth, J, Hofmann, H. | | Deposit date: | 2020-05-11 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Allostery through DNA drives phenotype switching.
Nat Commun, 12, 2021
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8EMB
 | | X-ray crystal structure of Thermosynechococcus elongatus Si3 domain of RNA polymerase RpoC2 subunit | | Descriptor: | DNA-directed RNA polymerase subunit beta' | | Authors: | Murakami, K.S, Imashimizu, M, Qayyum, M.Z, Vishwakarma, R.K, Yuzenkova, Y. | | Deposit date: | 2022-09-27 | | Release date: | 2022-11-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structure and function of the Si3 insertion integrated into the trigger loop/helix of cyanobacterial RNA polymerase.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7NZW
 | | Crystal structure of chimeric carbonic anhydrase VA with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | | Descriptor: | 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-03-24 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
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8RS9
 | | p97 (VCP) double mutant - F266A F539A | | Descriptor: | Transitional endoplasmic reticulum ATPase | | Authors: | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | | Deposit date: | 2024-01-24 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | p97 (VCP) double mutant - F266A F539A
To Be Published
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8RSB
 | | p97 (VCP) mutant - F539A ADP state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | | Deposit date: | 2024-01-24 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | p97 (VCP) mutant - F539A ADP state
To Be Published
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8RSC
 | | p97 (VCP) mutant - F539A | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | | Deposit date: | 2024-01-24 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | p97 (VCP) mutant - F539A
To Be Published
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6DK3
 | | HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2 | | Descriptor: | Serine hydroxymethyltransferase, mitochondrial, UNKNOWN ATOM OR ION | | Authors: | 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) | | Deposit date: | 2018-05-28 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2
to be published
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8SYI
 | | Cyanobacterial RNAP-EC | | Descriptor: | DNA (37-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Qayyum, M.Z, Imashimizu, M, Leanca, M, Vishwakarma, R.K, Bradley Riaz, A, Yuzenkova, Y, Murakami, K.S. | | Deposit date: | 2023-05-25 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structure and function of the Si3 insertion integrated into the trigger loop/helix of cyanobacterial RNA polymerase.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8T55
 | | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | | Authors: | 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) | | Deposit date: | 2023-06-12 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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
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7NE7
 | | oligopeptidase B from S. proteomaculans with modified hinge region in complex with N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide | | Descriptor: | N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, Oligopeptidase B, SPERMINE | | Authors: | Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I. | | Deposit date: | 2021-02-03 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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3JTD
 | | Calcium-free Scallop Myosin Regulatory Domain with ELC-D19A Point Mutation | | Descriptor: | MAGNESIUM ION, Myosin essential light chain, striated adductor muscle, ... | | Authors: | Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C. | | Deposit date: | 2009-09-11 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | The on-off switch in regulated myosins: different triggers but related mechanisms.
J.Mol.Biol., 394, 2009
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6K5U
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2Y0J
 | | Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2, Lead-optimisation. | | Descriptor: | 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, ... | | Authors: | Kehler, J, Ritzen, A, Langgard, M, Petersen, S.L, Christoffersen, C.T, Nielsen, J, Kilburn, J.P. | | Deposit date: | 2010-12-03 | | Release date: | 2011-06-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Triazoloquinazolines as a Novel Class of Phosphodiesterase 10A (Pde10A) Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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