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2W1X
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BU of 2w1x by Molmil
The interdependence of wavelength, redundancy and dose in sulfur SAD experiments: 1.284 A wavelength 360 images data
Descriptor: CHLORIDE ION, LYSOZYME C, SODIUM ION
Authors:Cianci, M, Helliwell, J.R, Suzuki, A.
Deposit date:2008-10-21
Release date:2008-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64, 2008
2W46
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BU of 2w46 by Molmil
CBM35 from Cellvibrio japonicus Abf62
Descriptor: CALCIUM ION, ESTERASE D, SODIUM ION
Authors:Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J.
Deposit date:2008-11-21
Release date:2009-01-27
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
4QUJ
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BU of 4quj by Molmil
Caspase-3 T140GV266H
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, ...
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QXK
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BU of 4qxk by Molmil
Joint X-ray/neutron structure of PKGIbeta in complex with cGMP
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, SODIUM ION, cGMP-dependent protein kinase 1
Authors:Kim, C, Gerlits, O, Kovalevsky, A, Huang, G.Y.
Deposit date:2014-07-21
Release date:2014-11-12
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
Cite:Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design.
Biochemistry, 53, 2014
3CNG
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BU of 3cng by Molmil
Crystal structure of NUDIX hydrolase from Nitrosomonas europaea
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Osipiuk, J, Xu, X, Zheng, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-25
Release date:2008-04-08
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystal structure of NUDIX hydrolase from Nitrosomonas europaea.
To be Published
4QZA
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BU of 4qza by Molmil
Mouse Tdt in complex with a DSB substrate, C-C base pair
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*TP*TP*TP*TP*GP*C)-3', ...
Authors:Gouge, J, Delarue, M.
Deposit date:2014-07-27
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair.
Embo J., 34, 2015
4QZD
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BU of 4qzd by Molmil
Mouse Tdt, F405A mutant, in complex with a DSB substrate, C-C base pair
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*TP*TP*TP*TP*GP*C)-3', ...
Authors:Gouge, J, Delarue, M.
Deposit date:2014-07-27
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair.
Embo J., 34, 2015
4QZH
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BU of 4qzh by Molmil
Mouse Tdt, F401A mutant, in complex with a DSB substrate, C-T base pair
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*TP*TP*TP*TP*GP*T)-3', ...
Authors:Gouge, J, Delarue, M.
Deposit date:2014-07-27
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair.
Embo J., 34, 2015
2VNZ
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BU of 2vnz by Molmil
Crystal structure of dithinonite reduced soybean ascorbate peroxidase mutant W41A.
Descriptor: ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
Authors:Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase.
Biochemistry, 47, 2008
3D49
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BU of 3d49 by Molmil
Thrombin Inhibition
Descriptor: BENZAMIDINE, Hirudin variant-1, SODIUM ION, ...
Authors:Baum, B, Heine, A, Klebe, G.
Deposit date:2008-05-14
Release date:2009-04-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Understanding Thrombin Inhibition
To be Published
1B7Q
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BU of 1b7q by Molmil
VERIFICATION OF SPMP USING MUTANT HUMAN LYSOZYMES
Descriptor: PROTEIN (LYSOZYME), SODIUM ION
Authors:Takano, K, Ota, M, Ogasahara, K, Yamagata, Y, Nishikawa, K, Yutani, K.
Deposit date:1999-01-25
Release date:1999-02-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Experimental verification of the 'stability profile of mutant protein' (SPMP) data using mutant human lysozymes.
Protein Eng., 12, 1999
1B7M
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BU of 1b7m by Molmil
VERIFICATION OF SPMP USING MUTANT HUMAN LYSOZYMES
Descriptor: PROTEIN (LYSOZYME), SODIUM ION
Authors:Takano, K, Ota, M, Ogasahara, K, Yamagata, Y, Nishikawa, K, Yutani, K.
Deposit date:1999-01-24
Release date:1999-01-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Experimental verification of the 'stability profile of mutant protein' (SPMP) data using mutant human lysozymes.
Protein Eng., 12, 1999
2WCF
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BU of 2wcf by Molmil
calcium-free (apo) S100A12
Descriptor: PROTEIN S100-A12, SODIUM ION
Authors:Moroz, O.V, Blagova, E.V, Wilkinson, A.J, Wilson, K.S, Bronstein, I.B.
Deposit date:2009-03-11
Release date:2009-06-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:The Crystal Structures of Human S100A12 in Apo Form and in Complex with Zinc: New Insights Into S100A12 Oligomerisation.
J.Mol.Biol., 391, 2009
4QVB
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BU of 4qvb by Molmil
Mycobacterium tuberculosis protein Rv1155 in complex with co-enzyme F420
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, COENZYME F420, ...
Authors:Mashalidis, E.H, Gittis, A.G, Tomczak, A, Abell, C, Barry III, C.E, Garboczi, D.N.
Deposit date:2014-07-14
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular insights into the binding of coenzyme F420 to the conserved protein Rv1155 from Mycobacterium tuberculosis.
Protein Sci., 24, 2015
3D7J
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BU of 3d7j by Molmil
SCO6650, a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor
Descriptor: CHLORIDE ION, SODIUM ION, Uncharacterized protein SCO6650
Authors:Spoonamore, J.E, Roberts, S.A, Heroux, A, Bandarian, V.
Deposit date:2008-05-21
Release date:2008-10-21
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor.
Acta Crystallogr.,Sect.F, 64, 2008
3DR3
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BU of 3dr3 by Molmil
Structure of IDP00107, a potential N-acetyl-gamma-glutamylphosphate reductase from Shigella flexneri
Descriptor: D-MALATE, N-acetyl-gamma-glutamyl-phosphate reductase, SODIUM ION
Authors:Singer, A.U, Skarina, T, Onopriyenko, O, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-07-10
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of IDP00107, a potential N-acetyl-gamma-glutamylphosphate reductase from Shigella flexneri
To be Published
1B5W
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BU of 1b5w by Molmil
CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME: CALORIMETRY AND X-RAY ANALYSIS OF SIX SER->ALA MUTANTS
Descriptor: CHLORIDE ION, PROTEIN (LYSOZYME), SODIUM ION
Authors:Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K.
Deposit date:1999-01-11
Release date:1999-01-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants.
Biochemistry, 38, 1999
4QRG
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BU of 4qrg by Molmil
Crystal structure of I86L mutant of papain
Descriptor: CHLORIDE ION, Papain, SODIUM ION
Authors:Dutta, S, Choudhury, D, Roy, S, Biswas, S.
Deposit date:2014-07-01
Release date:2015-08-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Pro-peptide regulates the substrate specificity and zymogen activation process of papain: A structural and mechanistic insight
To be Published
3DRW
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BU of 3drw by Molmil
Crystal Structure of a Phosphofructokinase from Pyrococcus horikoshii OT3 with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ADP-specific phosphofructokinase, SODIUM ION
Authors:Singer, A.U, Skarina, T, Kochinyan, S, Brown, G, Cuff, M.E, Edwards, A.M, Joachimiak, A, Savchenko, A, Yakunin, A.F, Jia, Z, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-07-11
Release date:2008-12-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ADP-dependent 6-phosphofructokinase from Pyrococcus horikoshii OT3: structure determination and biochemical characterization of PH1645.
J.Biol.Chem., 284, 2009
3DT7
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BU of 3dt7 by Molmil
The structure of rat cytosolic PEPCK in complex with beta-sulfopyruvate and GTP
Descriptor: 2-ETHOXYETHANOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Sullivan, S.M, Holyoak, T.
Deposit date:2008-07-14
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4RA5
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BU of 4ra5 by Molmil
Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
Descriptor: (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ...
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-09-09
Release date:2014-10-08
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
2V9V
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BU of 2v9v by Molmil
Crystal Structure of Moorella thermoacetica SelB(377-511)
Descriptor: CHLORIDE ION, SELENOCYSTEINE-SPECIFIC ELONGATION FACTOR, SODIUM ION
Authors:Ganichkin, O, Wahl, M.C.
Deposit date:2007-08-27
Release date:2007-09-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Conformational Switches in Winged-Helix Domains 1 and 2 of Bacterial Translation Elongation Factor Selb.
Acta Crystallogr.,Sect.D, 63, 2007
1C1U
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BU of 1c1u by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE, ACETYL HIRUDIN, ALPHA THROMBIN, ...
Authors:Katz, B.A, Luong, C.
Deposit date:1999-07-21
Release date:2000-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
4QZ8
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BU of 4qz8 by Molmil
Mouse Tdt in complex with a DSB substrate, C-G base pair
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*TP*TP*TP*TP*GP*G)-3', ...
Authors:Gouge, J, Delarue, M.
Deposit date:2014-07-27
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair.
Embo J., 34, 2015
4QZC
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BU of 4qzc by Molmil
Mouse Tdt, F405A mutant, in complex with a DSB substrate, C-G base pair
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*TP*TP*TP*TP*GP*G)-3', ...
Authors:Gouge, J, Delarue, M.
Deposit date:2014-07-27
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair.
Embo J., 34, 2015

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