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3GW4
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BU of 3gw4 by Molmil
Crystal structure of uncharacterized protein from Deinococcus radiodurans. Northeast Structural Genomics Consortium Target DrR162B.
Descriptor: Uncharacterized protein
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-03-31
Release date:2009-04-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Northeast Structural Genomics Consortium Target DrR162B
To be published
2V7G
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Crystal Structure of an Engineered Urocanase Tetramer
Descriptor: ACETATE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Treiber, N, Schulz, G.E.
Deposit date:2007-07-30
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designed Protein-Protein Association.
Science, 319, 2008
3DE1
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BU of 3de1 by Molmil
Proteinase K by LB nanotemplate method after the third step of high X-Ray dose on ESRF ID23-1 beamline
Descriptor: CALCIUM ION, Proteinase K
Authors:Pechkova, E, Tripathi, S.K, Nicolini, C.
Deposit date:2008-06-07
Release date:2009-06-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
3H5U
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BU of 3h5u by Molmil
Hepatitis C virus polymerase NS5B with saccharin inhibitor 1
Descriptor: N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2009-04-22
Release date:2009-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides
Bioorg.Med.Chem.Lett., 19, 2009
2V50
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BU of 2v50 by Molmil
The Missing Part of the Bacterial MexAB-OprM System: Structural determination of the Multidrug Exporter MexB
Descriptor: DODECYL-BETA-D-MALTOSIDE, MULTIDRUG RESISTANCE PROTEIN MEXB
Authors:Sennhauser, G, Bukowska, M.A, Gruetter, M.G.
Deposit date:2008-10-01
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of the Multidrug Exporter Mexb from Pseudomonas Aeruginosa.
J.Mol.Biol., 389, 2009
3DDZ
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BU of 3ddz by Molmil
Proteinase K by LB nanotemplate method after the first step of high X-Ray dose on ESRF ID23-1 beamline
Descriptor: CALCIUM ION, Proteinase K
Authors:Pechkova, E, Tripathi, S.K, Nicolini, C.
Deposit date:2008-06-07
Release date:2009-06-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
2V2V
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BU of 2v2v by Molmil
IspE in complex with ligand
Descriptor: 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, 5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-5'-DEOXYCYTIDINE, BROMIDE ION, ...
Authors:Alphey, M.S, Hunter, W.N.
Deposit date:2007-06-07
Release date:2007-06-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and Characterization of Cytidine Derivatives that Inhibit the Kinase Ispe of the Non-Mevalonate Pathway for Isoprenoid Biosynthesis.
Chemmedchem, 3, 2008
3H59
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BU of 3h59 by Molmil
Hepatitis C virus polymerase NS5B with thiazine inhibitor 2
Descriptor: N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2009-04-21
Release date:2009-09-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids
Bioorg.Med.Chem.Lett., 19, 2009
3D9Q
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BU of 3d9q by Molmil
Proteinase K by LB nanotemplate method before high X-Ray dose on ESRF ID23-1 beamline
Descriptor: CALCIUM ION, Proteinase K
Authors:Pechkova, E, Tripathi, S.K, Nicolini, C.
Deposit date:2008-05-27
Release date:2009-06-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
3DE0
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BU of 3de0 by Molmil
Proteinase K by LB nanotemplate method after the second step of high X-Ray dose on ESRF ID23-1 beamline
Descriptor: CALCIUM ION, Proteinase K
Authors:Pechkova, E, Tripathi, S.K, Nicolini, C.
Deposit date:2008-06-07
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
3HCI
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BU of 3hci by Molmil
Structure of MsrB from Xanthomonas campestris (complex-like form)
Descriptor: (2S)-2-(acetylamino)-N-methyl-4-[(R)-methylsulfinyl]butanamide, CALCIUM ION, Peptide methionine sulfoxide reductase, ...
Authors:Ranaivoson, F.M, Kauffmann, B, Favier, F.
Deposit date:2009-05-06
Release date:2009-10-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Methionine sulfoxide reductase B displays a high level of flexibility.
J.Mol.Biol., 394, 2009
3BQH
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BU of 3bqh by Molmil
Structure of the central domain (MsrA) of Neisseria meningitidis PilB (oxidized form)
Descriptor: ACETATE ION, Peptide methionine sulfoxide reductase msrA/msrB
Authors:Ranaivoson, F.M, Kauffmann, B, Favier, F.
Deposit date:2007-12-20
Release date:2008-02-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A structural analysis of the catalytic mechanism of methionine sulfoxide reductase A from Neisseria meningitidis
J.Mol.Biol., 377, 2008
3H8E
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BU of 3h8e by Molmil
Low pH native structure of leucine aminopeptidase from Pseudomonas putida
Descriptor: Cytosol aminopeptidase
Authors:Kale, A, Dijkstra, B.W, Sonke, T, Thunnissen, A.M.W.H.
Deposit date:2009-04-29
Release date:2010-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of the leucine aminopeptidase from Pseudomonas putida reveals the molecular basis for its enantioselectivity and broad substrate specificity.
J.Mol.Biol., 398, 2010
3I6H
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BU of 3i6h by Molmil
Ribonuclease A by LB nanotemplate method before high X-Ray dose on ESRF ID14-2 beamline
Descriptor: CHLORIDE ION, Ribonuclease pancreatic
Authors:Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C.
Deposit date:2009-07-07
Release date:2010-07-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic structure and radiation resistance of langmuir-blodgett protein crystals
To be Published
3BUK
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BU of 3buk by Molmil
Crystal Structure of the Neurotrophin-3 and p75NTR Symmetrical Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neurotrophin-3, Tumor necrosis factor receptor superfamily member 16
Authors:Jiang, T, Gong, Y, Cao, P, Yu, H.J.
Deposit date:2008-01-02
Release date:2008-07-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the neurotrophin-3 and p75NTR symmetrical complex.
Nature, 454, 2008
2PNJ
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BU of 2pnj by Molmil
Crystal structure of human ferrochelatase mutant with Phe 337 replaced by Ala
Descriptor: CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ...
Authors:Dailey, H.A, Wu, C.-K, Horanyi, P, Medlock, A.E, Najahi-Missaoui, W, Burden, A.E, Dailey, T.A, Rose, J.P.
Deposit date:2007-04-24
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Altered orientation of active site residues in variants of human ferrochelatase. Evidence for a hydrogen bond network involved in catalysis
Biochemistry, 46, 2007
3I5B
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BU of 3i5b by Molmil
Crystal structure of the isolated GGDEF domain of WpsR from Pseudomonas aeruginosa
Descriptor: L(+)-TARTARIC ACID, WspR response regulator
Authors:Navarro, M.V.A.S, De, N, Sondermann, H.
Deposit date:2009-07-03
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.043 Å)
Cite:Determinants for the activation and autoinhibition of the diguanylate cyclase response regulator WspR.
J.Mol.Biol., 393, 2009
2PXW
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BU of 2pxw by Molmil
Crystal Structure of N66D Mutant of Green Fluorescent Protein from Zoanthus sp. at 2.4 A Resolution (Transition State)
Descriptor: GFP-like fluorescent chromoprotein FP506
Authors:Pletnev, S.V, Pletneva, N.V, Tikhonova, T.V, Pletnev, V.Z.
Deposit date:2007-05-14
Release date:2007-09-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Refined crystal structures of red and green fluorescent proteins from the button polyp Zoanthus.
Acta Crystallogr.,Sect.D, 63, 2007
3C2H
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BU of 3c2h by Molmil
Crystal Structure of SYS-1 at 2.6A resolution
Descriptor: CITRATE ANION, GLYCEROL, Sys-1 protein
Authors:Liu, J, Phillips, B.T, Amaya, M.F, Kimble, J, Xu, W.
Deposit date:2008-01-25
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The C. elegans SYS-1 protein is a bona fide beta-catenin.
Dev.Cell, 14, 2008
3I6C
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BU of 3i6c by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (II)
Descriptor: 3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Greasley, S.E, Ferre, R.A.
Deposit date:2009-07-06
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (II).
Bioorg.Med.Chem.Lett., 20, 2010
3C7W
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BU of 3c7w by Molmil
Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme
Authors:Mooers, B.H.M.
Deposit date:2008-02-08
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme.
Protein Sci., 18, 2009
3HWU
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BU of 3hwu by Molmil
Crystal structure of Putative DNA-binding protein (YP_299413.1) from Ralstonia eutrophA JMP134 at 1.30 A resolution
Descriptor: Putative DNA-binding protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-06-18
Release date:2009-06-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of Putative DNA-binding protein (YP_299413.1) from Ralstonia eutropha JMP134 at 1.30 A resolution
To be published
2Q8H
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BU of 2q8h by Molmil
Structure of pyruvate dehydrogenase kinase isoform 1 in complex with dichloroacetate (DCA)
Descriptor: DICHLORO-ACETIC ACID, POTASSIUM ION, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1
Authors:Kato, M, Li, J, Chuang, J.L, Chuang, D.T.
Deposit date:2007-06-10
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol.
Structure, 15, 2007
2Q0R
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BU of 2q0r by Molmil
Structure of Pectenotoxin-2 Bound to Actin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, CALCIUM ION, ...
Authors:Allingham, J.S, Miles, C.O, Rayment, I.
Deposit date:2007-05-22
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A structural basis for regulation of actin polymerization by pectenotoxins.
J.Mol.Biol., 371, 2007
3BX7
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BU of 3bx7 by Molmil
Engineered Human Lipocalin 2 (LCN2) in Complex with the Extracellular Domain of Human CTLA-4
Descriptor: CYTOTOXIC T-LYMPHOCYTE-ASSOCIATED ANTIGEN 4, ENGINEERED HUMAN LIPOCALIN 2
Authors:Schonfeld, D.L, Chatwell, L, Skerra, A.
Deposit date:2008-01-11
Release date:2009-01-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin
To be Published

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