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2FCS
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BU of 2fcs by Molmil
X-ray Crystal Structure of a Chemically Synthesized [L-Gln35]Ubiquitin with a Cubic Space Group
Descriptor: ACETATE ION, CADMIUM ION, SULFATE ION, ...
Authors:Bang, D, Gribenko, A.V, Tereshko, V, Kossiakoff, A.A, Kent, S.B, Makhatadze, G.I.
Deposit date:2005-12-12
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dissecting the energetics of protein alpha-helix C-cap termination through chemical protein synthesis.
Nat.Chem.Biol., 2, 2006
8DFA
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BU of 8dfa by Molmil
type I-C Cascade bound to ssDNA target
Descriptor: CRISPR-associated protein, CT1133 family, TM1801 family, ...
Authors:O'Brien, R.E, Bravo, J.P.K, Ramos, D, Hibshman, G.N, Wright, J.T, Taylor, D.W.
Deposit date:2022-06-21
Release date:2023-02-22
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural snapshots of R-loop formation by a type I-C CRISPR Cascade.
Mol.Cell, 83, 2023
2FG6
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BU of 2fg6 by Molmil
N-succinyl-L-ornithine transcarbamylase from B. fragilis complexed with sulfate and N-succinyl-L-norvaline
Descriptor: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, SULFATE ION, putative ornithine carbamoyltransferase
Authors:Shi, D, Yu, X, Malamy, M.H, Allewell, N.M, Mendel, T.
Deposit date:2005-12-21
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and catalytic mechanism of a novel N-succinyl-L-ornithine transcarbamylase in arginine biosynthesis of Bacteroides fragilis.
J.Biol.Chem., 281, 2006
8DEX
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BU of 8dex by Molmil
type I-C Cascade
Descriptor: CRISPR-associated protein, CT1133 family, TM1801 family, ...
Authors:O'Brien, R.E, Bravo, J.P.K, Ramos, D, Hibshman, G.N, Wright, J.T, Taylor, D.W.
Deposit date:2022-06-21
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural snapshots of R-loop formation by a type I-C CRISPR Cascade.
Mol.Cell, 83, 2023
2FLR
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BU of 2flr by Molmil
Novel 5-Azaindole Factor VIIa Inhibitors
Descriptor: Coagulation factor VII, Tissue factor, [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA
Authors:Riggs, J.R, Hu, H, Kolesnikov, A, Tong, Z, Leahy, E.M, Wesson, K.E, Shrader, W.D, Vijaykumar, D, Wahl, T.A, Sprengeler, P.A, Green, M.J, Yu, C, Katz, B.A, Young, W.B.
Deposit date:2006-01-06
Release date:2007-01-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Novel 5-azaindole factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2FMG
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BU of 2fmg by Molmil
Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine and crystallographic analysis of their adducts with isozyme II: sterospecific recognition within the active site of an enzyme and its consequences for the drug design, structure with L-phenylalanine
Descriptor: Carbonic anhydrase 2, MERCURY (II) ION, PHENYLALANINE, ...
Authors:Temperini, C, Scozzafava, A, Vullo, D, Supuran, C.T.
Deposit date:2006-01-09
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, VA, VII, and XIV with l- and d-Phenylalanine and Crystallographic Analysis of Their Adducts with Isozyme II: Stereospecific Recognition within the Active Site of an Enzyme and Its Consequences for the Drug Design.
J.Med.Chem., 49, 2006
1VT9
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BU of 1vt9 by Molmil
The structure and hydration of the A-DNA fragment D(GGGTACCC) at room temperature and low temperature
Descriptor: DNA (5'-D(*GP*GP*GP*TP*AP*CP*CP*C)-3')
Authors:Eisenstein, M, Frolow, F, Shakked, Z, Rabinovich, D.
Deposit date:1991-04-11
Release date:2011-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure and hydration of the A-DNA fragment d(GGGTACCC) at room temperature and low temperature.
Nucleic Acids Res., 18, 1990
1VL3
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BU of 1vl3 by Molmil
DESIGN OF NEW MIMOCHROMES WITH UNIQUE TOPOLOGY
Descriptor: CO(III)-(DEUTEROPORPHYRIN IX), GLU-SER-GLN-LEU-HIS-SER-ASN-LYS-ARG
Authors:Lombardi, A, Nastri, F, Marasco, D, Maglio, O, De Sanctis, G, Sinibaldi, F, Santucci, R, Coletta, M, Pavone, V.
Deposit date:2004-07-05
Release date:2004-07-20
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Design of a New Mimochrome with Unique Topology.
Chemistry, 9, 2003
1VZI
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BU of 1vzi by Molmil
Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction
Descriptor: CALCIUM ION, CHLORIDE ION, DESULFOFERRODOXIN, ...
Authors:Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D.
Deposit date:2004-05-19
Release date:2004-08-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction.
Structure, 12, 2004
2EZ9
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BU of 2ez9 by Molmil
Pyruvate oxidase variant F479W in complex with reaction intermediate analogue 2-phosphonolactyl-thiamin diphosphate
Descriptor: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K.
Deposit date:2005-11-10
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
1W5W
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BU of 1w5w by Molmil
HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor
Descriptor: (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN
Authors:Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T.
Deposit date:2004-08-10
Release date:2004-12-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
1VEL
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BU of 1vel by Molmil
Mycobacterium smegmatis Dps tetragonal form
Descriptor: CADMIUM ION, SODIUM ION, SULFATE ION, ...
Authors:Roy, S, Gupta, S, Das, S, Sekar, K, Chatterji, D, Vijayan, M.
Deposit date:2004-04-01
Release date:2004-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:X-ray analysis of Mycobacterium smegmatis Dps and a comparative study involving other Dps and Dps-like molecules
J.Mol.Biol., 339, 2004
1W9H
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BU of 1w9h by Molmil
The Structure of a Piwi protein from Archaeoglobus fulgidus.
Descriptor: CADMIUM ION, CHLORIDE ION, HYPOTHETICAL PROTEIN AF1318, ...
Authors:Parker, J.S, Roe, S.M, Barford, D.
Deposit date:2004-10-13
Release date:2005-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of a Piwi Protein Suggests Mechanisms for Sirna Recognition and Slicer Activity
Embo J., 23, 2004
2F73
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BU of 2f73 by Molmil
Crystal structure of human fatty acid binding protein 1 (FABP1)
Descriptor: Fatty acid-binding protein, liver
Authors:Kursula, P, Thorsell, A.G, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Holmberg Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, van den Berg, S, Weigelt, J, Hallberg, B.M, Structural Genomics Consortium (SGC)
Deposit date:2005-11-30
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human FABP1
To be Published
2F7V
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BU of 2f7v by Molmil
Structure of acetylcitrulline deacetylase complexed with one Co
Descriptor: COBALT (II) ION, aectylcitrulline deacetylase
Authors:Shi, D, Yu, X, Roth, L, Allewell, N.M, Tuchman, M.
Deposit date:2005-12-01
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of a novel N-acetyl-L-citrulline deacetylase from Xanthomonas campestris
Biophys.Chem., 126, 2007
1VJM
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BU of 1vjm by Molmil
Deformation of helix C in the low-temperature L-intermediate of bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Edman, K, Royant, A, Larsson, G, Jacobson, F, Taylor, T, van der Spoel, D, Landau, E.M, Pebay-Peyroula, E, Neutze, R.
Deposit date:2004-03-12
Release date:2004-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Deformation of helix C in the low temperature L-intermediate of bacteriorhodopsin.
J.Biol.Chem., 279, 2004
2FCN
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BU of 2fcn by Molmil
X-ray Crystal Structure of a Chemically Synthesized [D-Val35]Ubiquitin with a Cubic Space Group
Descriptor: ACETATE ION, CADMIUM ION, Ubiquitin
Authors:Bang, D, Gribenko, A.V, Tereshko, V, Kossiakoff, A.A, Kent, S.B, Makhatadze, G.I.
Deposit date:2005-12-12
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dissecting the energetics of protein alpha-helix C-cap termination through chemical protein synthesis.
Nat.Chem.Biol., 2, 2006
2FGG
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BU of 2fgg by Molmil
Crystal Structure of Rv2632c
Descriptor: Hypothetical protein Rv2632c/MT2708
Authors:Yu, M, Bursey, E.H, Radhakannan, T, Segelke, B.W, Lekin, T, Toppani, D, Kim, C.Y, Kaviratne, T, Woodruff, T, Terwilliger, T.C, Hung, L.W, TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-12-21
Release date:2006-02-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Rv2632c
To be Published
2FHB
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BU of 2fhb by Molmil
Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with maltose
Descriptor: Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D.
Deposit date:2005-12-23
Release date:2006-06-13
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
2FGZ
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BU of 2fgz by Molmil
Crystal Structure Analysis of apo pullulanase from Klebsiella pneumoniae
Descriptor: Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION
Authors:Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D.
Deposit date:2005-12-23
Release date:2006-06-13
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
2FHF
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BU of 2fhf by Molmil
Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with maltotetraose
Descriptor: Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D.
Deposit date:2005-12-23
Release date:2006-06-13
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
1VSR
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BU of 1vsr by Molmil
VERY SHORT PATCH REPAIR (VSR) ENDONUCLEASE FROM ESCHERICHIA COLI
Descriptor: PROTEIN (VSR ENDONUCLEASE), ZINC ION
Authors:Tsutakawa, S.E, Muto, T, Jingami, H, Kunishima, N, Ariyoshi, M, Kohda, D, Nakagawa, M, Morikawa, K.
Deposit date:1999-02-13
Release date:1999-10-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic and functional studies of very short patch repair endonuclease.
Mol.Cell, 3, 1999
1VT8
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BU of 1vt8 by Molmil
Crystal structure of D(GGGCGCCC)-hexagonal form
Descriptor: DNA (5'-D(*GP*GP*GP*CP*GP*CP*CP*C)-3')
Authors:Shakked, Z, Guerstein-Guzikevich, G, Eisenstein, M, Frolow, F, Rabinovich, D.
Deposit date:1996-12-02
Release date:2011-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The conformation of the DNA double helix in the crystal is dependent on its environment.
Nature, 342, 1989
2FM0
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BU of 2fm0 by Molmil
Crystal structure of PDE4D in complex with L-869298
Descriptor: (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY L)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ...
Authors:Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H.
Deposit date:2006-01-06
Release date:2006-03-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase
J.Med.Chem., 49, 2006
2FM5
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BU of 2fm5 by Molmil
Crystal structure of PDE4D2 in complex with inhibitor L-869299
Descriptor: (R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ...
Authors:Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H.
Deposit date:2006-01-07
Release date:2006-03-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase
J.Med.Chem., 49, 2006

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