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4HXA
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Crystal structure of 13D9 FAB
Descriptor: 13D9 FAB HEAVY CHAIN, 13D9 FAB LIGHT CHAIN
Authors:Johal, A.R, Jarrell, H.C, Khieu, N.H, Letts, J.A, Landry, R.C, Jachymek, W, Yang, Q, Jennings, H.J, Brisson, J.R, Evans, S.V.
Deposit date:2012-11-09
Release date:2013-07-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The antigen-binding site of an N-propionylated polysialic acid-specific antibody protective against group B meningococci is consistent with extended epitopes.
Glycobiology, 23, 2013
3TR3
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BU of 3tr3 by Molmil
Structure of a bolA protein homologue from Coxiella burnetii
Descriptor: BolA, COBALT (II) ION
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TR8
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BU of 3tr8 by Molmil
Structure of an oligoribonuclease (orn) from Coxiella burnetii
Descriptor: ACETATE ION, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4I0F
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BU of 4i0f by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
Descriptor: Beta-secretase 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION
Authors:Yao, N, Brecht, E.
Deposit date:2012-11-16
Release date:2013-03-06
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4JI9
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BU of 4ji9 by Molmil
JAK2 kinase (JH1 domain) in complex with TG101209
Descriptor: N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2013-03-05
Release date:2013-08-07
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4JRW
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BU of 4jrw by Molmil
Crystal structure of Clostridium histolyticum colg collagenase PKD domain 2 at 1.6 Angstrom resolution
Descriptor: BROMIDE ION, Collagenase
Authors:Sakon, J, Philominathan, S.T.L, Gann, S, Bauer, R, Matsushita, O.
Deposit date:2013-03-22
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Acta Crystallogr.,Sect.D, 71, 2015
4JTE
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BU of 4jte by Molmil
Crystal structure of F114A mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, SODIUM ION
Authors:Allison, T.M, Cochrane, F.C, Jameson, G.B, Parker, E.J.
Deposit date:2013-03-23
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Examining the Role of Intersubunit Contacts in Catalysis by 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthase.
Biochemistry, 52, 2013
4JB6
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Structure of Pseudomonas aeruginosa FabF mutant C164Q
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, POTASSIUM ION
Authors:Baum, B, Lecker, L.
Deposit date:2013-02-19
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Pseudomonas aeruginosa beta-ketoacyl-(acyl-carrier-protein) synthase II (FabF) and a C164Q mutant provide templates for antibacterial drug discovery and identify a buried potassium ion and a ligand-binding site that is an artefact of the crystal form.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4ITG
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P113S mutant of E. coli Cystathionine beta-lyase MetC
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cystathionine beta-lyase MetC
Authors:Squire, C.J, Yosaatmadja, Y, Soo, V.W.C, Patrick, W.M.
Deposit date:2013-01-18
Release date:2014-12-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016
4ITX
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BU of 4itx by Molmil
P113S mutant of E. coli Cystathionine beta-lyase MetC inhibited by reaction with L-Ala-P
Descriptor: CALCIUM ION, Cystathionine beta-lyase MetC, {1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-ETHYL}-PHOSPHONIC ACID
Authors:Squire, C.J, Yosaatmadja, Y, Soo, V.W.C, Patrick, W.M.
Deposit date:2013-01-19
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016
4JTF
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BU of 4jtf by Molmil
Crystal structure of F114R mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ...
Authors:Allison, T.M, Cochrane, F.C, Jameson, G.B, Parker, E.J.
Deposit date:2013-03-23
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Examining the Role of Intersubunit Contacts in Catalysis by 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthase.
Biochemistry, 52, 2013
4JB4
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BU of 4jb4 by Molmil
Expression, Purification, Characterization, and Solution NMR Study of Highly Deuterated Yeast Cytochrome c Peroxidase with Enhanced Solubility
Descriptor: Cytochrome c peroxidase, mitochondrial, FLUORIDE ION, ...
Authors:Wohlkonig, A.C.
Deposit date:2013-02-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Expression, purification, characterization, and solution nuclear magnetic resonance study of highly deuterated yeast cytochrome C peroxidase with enhanced solubility.
Biochemistry, 52, 2013
3TRG
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BU of 3trg by Molmil
Structure of an acylphosphatase from Coxiella burnetii
Descriptor: 1,2-ETHANEDIOL, Acylphosphatase, CHLORIDE ION
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-10-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TSA
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BU of 3tsa by Molmil
Spinosyn Rhamnosyltransferase SpnG
Descriptor: MAGNESIUM ION, NDP-rhamnosyltransferase, alpha-D-glucopyranose
Authors:Isiorho, E.A, Liu, H.-W, Keatinge-Clay, A.T.
Deposit date:2011-09-12
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Studies of the Spinosyn Rhamnosyltransferase, SpnG.
Biochemistry, 51, 2012
3TR7
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BU of 3tr7 by Molmil
Structure of a uracil-DNA glycosylase (ung) from Coxiella burnetii
Descriptor: Uracil-DNA glycosylase
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1958 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4JP0
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BU of 4jp0 by Molmil
Crystal structure of Cry35Ab1
Descriptor: 43.8 kDa insecticidal crystal protein
Authors:Yang, C, Pflugrath, J.W, Kelker, M.S, Evan, S.L, Narva, K.E.
Deposit date:2013-03-19
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and biophysical characterization of Cry34Ab1 and Cry35Ab1
To be Published
3LKK
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BU of 3lkk by Molmil
Crystal structure of the isopentenyl phosphate kinase substrate complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Gamma-glutamyl kinase related protein, Isopentenyl phosphate
Authors:Mabanglo, M.F, Hill, C.P.
Deposit date:2010-01-27
Release date:2010-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:X-ray structures of isopentenyl phosphate kinase.
Acs Chem.Biol., 5, 2010
2LT1
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BU of 2lt1 by Molmil
Solution NMR structure of the 72-residue N-terminal domain of Myxococcus xanthus CarD
Descriptor: CarD protein
Authors:Jimenez, M.A, Padmanabhan, S.
Deposit date:2012-05-10
Release date:2013-11-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure-Function Dissection of Myxococcus xanthus CarD N-Terminal Domain, a Defining Member of the CarD_CdnL_TRCF Family of RNA Polymerase Interacting Proteins.
Plos One, 10
3LUJ
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BU of 3luj by Molmil
Crystal structure of MID domain from hAGO2 in complex with UMP
Descriptor: Protein argonaute-2, URIDINE-5'-MONOPHOSPHATE
Authors:Frank, F, Sonenberg, N, Nagar, B.
Deposit date:2010-02-17
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Structural basis for 5'-nucleotide base-specific recognition of guide RNA by human AGO2.
Nature, 465, 2010
3UI5
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BU of 3ui5 by Molmil
Crystal structure of human Parvulin 14
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
Authors:Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
Deposit date:2011-11-04
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
3VQU
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BU of 3vqu by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide
Descriptor: 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y.
Deposit date:2012-03-30
Release date:2012-06-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Acs Med.Chem.Lett., 3, 2012
3VZL
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BU of 3vzl by Molmil
Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35H mutant
Descriptor: Endo-1,4-beta-xylanase, SULFATE ION
Authors:Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P.
Deposit date:2012-10-15
Release date:2013-05-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
3VI1
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BU of 3vi1 by Molmil
Crystal structure of Pseudomonas aerginosa alkaline protease complexed with Substance P(1-6)
Descriptor: Alkaline metalloproteinase, CALCIUM ION, Substance P1-6, ...
Authors:Matoba, K, Harada, S.
Deposit date:2011-09-13
Release date:2012-09-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Pseudomonas aerginosa alkaline protease complexed with Substance P(1-6)
To be Published
3VG4
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BU of 3vg4 by Molmil
Cadmium derivative of human LFABP
Descriptor: CADMIUM ION, Fatty acid-binding protein, liver, ...
Authors:Sharma, A, Yogavel, M, Sharma, A.
Deposit date:2011-08-03
Release date:2012-06-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3VUD
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BU of 3vud by Molmil
Crystal structure of a cysteine-deficient mutant M1 in MAP kinase JNK1
Descriptor: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION
Authors:Nakaniwa, T, Kinoshita, T, Inoue, T.
Deposit date:2012-06-28
Release date:2013-02-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1
Biochemistry, 51, 2012

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