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4H5J
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BU of 4h5j by Molmil
Crystal Structure of the Guanine Nucleotide Exchange Factor Sec12 (P64 form)
Descriptor: Guanine nucleotide-exchange factor SEC12, POTASSIUM ION
Authors:McMahon, C, Jeffrey, P.D, Hughson, F.M.
Deposit date:2012-09-18
Release date:2012-11-07
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:The structure of sec12 implicates potassium ion coordination in sar1 activation.
J.Biol.Chem., 287, 2012
4HET
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BU of 4het by Molmil
Crystal structure of a putative glycoside hydrolase (BT3745) from Bacteroides thetaiotaomicron VPI-5482 at 2.10 A resolution
Descriptor: 1,2-ETHANEDIOL, HYPOTHETICAL GLYCOSIDE HYDROLASE
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-10-04
Release date:2012-10-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a hypothetical glycoside hydrolase (BT3745) from Bacteroides thetaiotaomicron VPI-5482 at 2.10 A resolution
To be published
4GU9
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BU of 4gu9 by Molmil
Focal adhesion kinase catalytic domain in complex with (2-Fluoro-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
Descriptor: Focal adhesion kinase 1, N-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:Musil, D.
Deposit date:2012-08-29
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors.
J.Med.Chem., 56, 2013
4H09
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BU of 4h09 by Molmil
Crystal structure of a leucine-rich repeat protein (EUBVEN_01088) from Eubacterium ventriosum ATCC 27560 at 2.50 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hypothetical leucine rich repeat protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-09-07
Release date:2012-10-10
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a hypothetical leucine rich repeat protein (EUBVEN_01088) from Eubacterium ventriosum ATCC 27560 at 2.50 A resolution (CASP Target)
To be Published
4H3F
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BU of 4h3f by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
Descriptor: 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4H3G
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BU of 4h3g by Molmil
Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile
Descriptor: 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4H60
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BU of 4h60 by Molmil
High resolution structure of Vibrio cholerae chemotaxis protein CheY4 crystallized in low pH (4.0) condition
Descriptor: CALCIUM ION, Chemotaxis protein CheY, SULFATE ION
Authors:Biswas, M, Dasgupta, J, Sen, U.
Deposit date:2012-09-19
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Conformational Barrier of CheY3 and Inability of CheY4 to Bind FliM Control the Flagellar Motor Action in Vibrio cholerae.
Plos One, 8, 2013
4HFS
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BU of 4hfs by Molmil
Crystal structure of an uncharacterized protein (yncM) from Bacillus subtilis subsp. subtilis str. 168 at 1.55 A resolution
Descriptor: SULFATE ION, Uncharacterized protein YncM
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-10-05
Release date:2012-12-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of an uncharacterized protein (yncM) from Bacillus subtilis subsp. subtilis str. 168 at 1.55 A resolution
To be Published
4GRX
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BU of 4grx by Molmil
Structure of an omega-aminotransferase from Paracoccus denitrificans
Descriptor: Aminotransferase, DELTA-AMINO VALERIC ACID, SODIUM ION
Authors:Rausch, C, Lerchner, A, Schiefner, A, Skerra, A.
Deposit date:2012-08-27
Release date:2012-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the omega-aminotransferase from Paracoccus denitrificans and its phylogenetic relationship with other class III aminotransferases that have biotechnological potential.
Proteins, 81, 2013
4GT3
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BU of 4gt3 by Molmil
ATP-bound form of the ERK2 kinase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Pozharski, E, Zhang, J, Shapiro, P.
Deposit date:2012-08-28
Release date:2012-09-12
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:ATP-bound form of the ERK2 kinase
TO BE PUBLISHED
4GU4
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BU of 4gu4 by Molmil
Crystal structure of the T1L reovirus attachment protein sigma1 in complex with alpha-2,3-sialyllactose
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Outer capsid protein sigma-1
Authors:Reiss, K, Stehle, T.
Deposit date:2012-08-29
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The GM2 Glycan Serves as a Functional Coreceptor for Serotype 1 Reovirus.
Plos Pathog., 8, 2012
4GZV
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BU of 4gzv by Molmil
Crystal structure of a lipocalin family protein (BACOVA_00364) from Bacteroides ovatus ATCC 8483 at 1.95 A resolution
Descriptor: ACETATE ION, GLYCEROL, SODIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-09-06
Release date:2012-11-07
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a hypothetical protein (BACOVA_00364) from Bacteroides ovatus ATCC 8483 at 1.95 A resolution
To be published
4H3Q
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BU of 4h3q by Molmil
Crystal structure of human ERK2 complexed with a MAPK docking peptide
Descriptor: Dual specificity mitogen-activated protein kinase kinase 2, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Gogl, G, Toeroe, I, Remenyi, A.
Deposit date:2012-09-14
Release date:2013-02-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase
Acta Crystallogr.,Sect.D, 69, 2013
4H4J
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BU of 4h4j by Molmil
Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.15 A resolution
Descriptor: hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-09-17
Release date:2012-10-17
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure-guided functional characterization of DUF1460 reveals a highly specific NlpC/P60 amidase family.
Structure, 22, 2014
4H54
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BU of 4h54 by Molmil
Crystal structure of the diguanylate cyclase DgcZ
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate cyclase YdeH, GUANOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, ...
Authors:Zaehringer, F, Schirmer, T.
Deposit date:2012-09-18
Release date:2013-07-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structure and signaling mechanism of a zinc-sensory diguanylate cyclase.
Structure, 21, 2013
4H17
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BU of 4h17 by Molmil
Crystal structure of an isochorismatase (PP1826) from Pseudomonas putida KT2440 at 1.60 A resolution
Descriptor: 1,2-ETHANEDIOL, Hydrolase, isochorismatase family, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-09-10
Release date:2012-11-14
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of an isochorismatase (PP1826) from Pseudomonas putida KT2440 at 1.60 A resolution
To be published
4H3I
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BU of 4h3i by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
Descriptor: 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4IRT
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BU of 4irt by Molmil
Crystal structure of a putative neuraminidase (BACOVA_03493) from Bacteroides ovatus ATCC 8483 at 1.74 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-01-15
Release date:2013-03-13
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of a hypothetical protein (BACOVA_03493) from Bacteroides ovatus ATCC 8483 at 1.74 A resolution
To be published
4J1J
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BU of 4j1j by Molmil
Leanyer orthobunyavirus nucleoprotein-ssDNA complex
Descriptor: DNA (5'-D(P*AP*CP*CP*AP*AP*AP*CP*AP*AP*CP*CP*CP*AP*CP*CP*CP*A)-3'), Nucleocapsid
Authors:Niu, F, Shaw, N, Wang, Y, Jiao, L, Ding, W, Li, X, Zhu, P, Upur, H, Ouyang, S, Cheng, G, Liu, Z.J.
Deposit date:2013-02-01
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the Leanyer orthobunyavirus nucleoprotein-RNA complex reveals unique architecture for RNA encapsidation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IRU
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BU of 4iru by Molmil
Crystal Structure of lepB GAP core in a transition state mimetic complex with Rab1A and ALF3
Descriptor: ACETATE ION, ALUMINUM FLUORIDE, GLYCEROL, ...
Authors:Mishra, A.K, Delcampo, C.M, Collins, R.E, Roy, C.R, Lambright, D.G.
Deposit date:2013-01-15
Release date:2013-07-10
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Legionella pneumophila GTPase Activating Protein LepB Accelerates Rab1 Deactivation by a Non-canonical Hydrolytic Mechanism.
J.Biol.Chem., 288, 2013
4IWY
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BU of 4iwy by Molmil
SeMet-substituted RimK structure
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLUTAMIC ACID, Ribosomal protein S6 modification protein, ...
Authors:Shi, D, Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M.
Deposit date:2013-01-24
Release date:2013-05-08
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and function of Escherichia coli RimK, an ATP-grasp fold, l-glutamyl ligase enzyme.
Proteins, 81, 2013
4HWL
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BU of 4hwl by Molmil
Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-7 DMPC Bicelle
Descriptor: Bacteriorhodopsin, GLYCEROL, HEPTANE, ...
Authors:Lee, S, Stout, C.D, Zhang, Q.
Deposit date:2012-11-08
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HYZ
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BU of 4hyz by Molmil
Crystal structure of a DUF3887 family protein (RUMGNA_01855) from Ruminococcus gnavus ATCC 29149 at 2.25 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-11-14
Release date:2013-01-09
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of a hypothetical protein (RUMGNA_01855) from Ruminococcus gnavus ATCC 29149 at 2.25 A resolution
To be published
4I17
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BU of 4i17 by Molmil
Crystal structure of a TPR repeats protein (BF2334) from Bacteroides fragilis NCTC 9343 at 1.50 A resolution
Descriptor: GLYCEROL, SULFATE ION, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-11-20
Release date:2012-12-12
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of a hypothetical protein (BF2334) from Bacteroides fragilis NCTC 9343 at 1.50 A resolution
To be published
4I28
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BU of 4i28 by Molmil
Binary complex of mouse TdT with ssDNA and Zn++
Descriptor: 5'-D(*AP*AP*AP*AP*A)-3', DNA nucleotidylexotransferase, MAGNESIUM ION, ...
Authors:Gouge, J, Delarue, M.
Deposit date:2012-11-21
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of Intermediates along the Catalytic Cycle of Terminal Deoxynucleotidyltransferase: Dynamical Aspects of the Two-Metal Ion Mechanism.
J.Mol.Biol., 425, 2013

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