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2PAU
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BU of 2pau by Molmil
Crystal structure of the 5'-deoxynucleotidase YfbR mutant E72A complexed with Co(2+) and dAMP
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5'-deoxynucleotidase YfbR, COBALT (II) ION, ...
Authors:Zimmerman, M.D, Proudfoot, M, Yakunin, A, Minor, W.
Deposit date:2007-03-27
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into the mechanism of substrate specificity and catalytic activity of an HD-domain phosphohydrolase: the 5'-deoxyribonucleotidase YfbR from Escherichia coli.
J.Mol.Biol., 378, 2008
4M97
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BU of 4m97 by Molmil
Calcium-Dependent Protein Kinase 1 from Neospora caninum
Descriptor: Calmodulin-like domain protein kinase isoenzyme gamma, related
Authors:Merritt, E.A.
Deposit date:2013-08-14
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
3AMM
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BU of 3amm by Molmil
Cellotetraose complex of cellulase 12A from thermotoga maritima
Descriptor: Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Cheng, Y.-S, Ko, T.-P, Liu, J.-R, Guo, R.-T.
Deposit date:2010-08-20
Release date:2011-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Proteins, 79, 2011
3AMN
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BU of 3amn by Molmil
E134C-Cellobiose complex of cellulase 12A from thermotoga maritima
Descriptor: Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Cheng, Y.-S, Ko, T.-P, Liu, J.-R, Guo, R.-T.
Deposit date:2010-08-20
Release date:2011-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Proteins, 79, 2011
6FCS
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BU of 6fcs by Molmil
The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with NAG-NAMpentapeptide-NAG-NAMpentapeptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ACETATE ION, ...
Authors:Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A.
Deposit date:2017-12-21
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7TDF
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BU of 7tdf by Molmil
AtTPC1 D454N with 1 mM EDTA state I
Descriptor: Two pore calcium channel protein 1
Authors:Dickinson, M.S, Stroud, R.M.
Deposit date:2021-12-31
Release date:2022-02-02
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Molecular basis of multistep voltage activation in plant two-pore channel 1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TBG
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BU of 7tbg by Molmil
AtTPC1 D454N with 1 mM Ca2+
Descriptor: CALCIUM ION, SODIUM ION, Two pore calcium channel protein 1
Authors:Dickinson, M.S, Stroud, R.M.
Deposit date:2021-12-22
Release date:2022-02-02
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Molecular basis of multistep voltage activation in plant two-pore channel 1.
Proc.Natl.Acad.Sci.USA, 119, 2022
6GR5
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BU of 6gr5 by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Tassone, G, Pozzi, C, Mangani, S, Botta, M.
Deposit date:2018-06-08
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
6GPP
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BU of 6gpp by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Tassone, G, Pozzi, C, Mangani, S, Botta, M.
Deposit date:2018-06-06
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
7K07
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BU of 7k07 by Molmil
Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases
Descriptor: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, MANGANESE (II) ION
Authors:Thapar, R, Arvai, A.S, Tainer, J.A.
Deposit date:2020-09-03
Release date:2021-10-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3'- 5' exoribonucleases
To Be Published
5I2R
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BU of 5i2r by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(=NN(c1cccc(c1)OC(F)(F)F)C=CC2=O)c3ccnn3c4ccccc4, micromolar IC50=0.019462
Descriptor: 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Koerner, M, Rudolph, M.G.
Deposit date:2016-02-09
Release date:2016-03-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
5H8S
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BU of 5h8s by Molmil
Structure of the human GluA2 LBD in complex with GNE3419
Descriptor: 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, CACODYLATE ION, GLUTAMIC ACID, ...
Authors:Wallweber, H.J.A, Lupardus, P.J.
Deposit date:2015-12-23
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
8TOE
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BU of 8toe by Molmil
Escherichia coli RNA polymerase unwinding intermediate (I1c) at the lambda PR promoter
Descriptor: CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Darst, S.A, Saecker, R.M, Mueller, A.U.
Deposit date:2023-08-03
Release date:2024-07-03
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Early intermediates in bacterial RNA polymerase promoter melting visualized by time-resolved cryo-electron microscopy.
Nat.Struct.Mol.Biol., 2024
8TO1
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BU of 8to1 by Molmil
Escherichia coli RNA polymerase unwinding intermediate (I1a) at the lambda PR promoter
Descriptor: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Darst, S.A, Saecker, R.M, Mueller, A.U.
Deposit date:2023-08-02
Release date:2024-07-03
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Early intermediates in bacterial RNA polymerase promoter melting visualized by time-resolved cryo-electron microscopy.
Nat.Struct.Mol.Biol., 2024
2NPS
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BU of 2nps by Molmil
Crystal Structure of the Early Endosomal SNARE Complex
Descriptor: Syntaxin 13, Syntaxin-6, Vesicle transport through interaction with t-SNAREs homolog 1A, ...
Authors:Zwilling, D, Cypionka, A, Pohl, W.H, Fasshauer, D, Walla, P.J, Wahl, M.C, Jahn, R.
Deposit date:2006-10-30
Release date:2006-12-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Early endosomal SNAREs form a structurally conserved SNARE complex and fuse liposomes with multiple topologies
Embo J., 26, 2007
2KXL
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BU of 2kxl by Molmil
Solution structure of a bacterial cyclic nucleotide-activated K+ channel binding domain in the unliganded state
Descriptor: Cyclic nucleotide-gated potassium channel mll3241
Authors:Schunke, S, Stoldt, M, Willbold, D.
Deposit date:2010-05-10
Release date:2011-04-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural insights into conformational changes of a cyclic nucleotide-binding domain in solution from Mesorhizobium loti K1 channel.
Proc.Natl.Acad.Sci.USA, 108, 2011
4UXX
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BU of 4uxx by Molmil
Structure of delta4-DgkA with AMPPCP in 9.9 MAG
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Li, D, Vogeley, L, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4CL3
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BU of 4cl3 by Molmil
1.70 A resolution structure of the malate dehydrogenase from Chloroflexus aurantiacus
Descriptor: ACETATE ION, CADMIUM ION, CHLORIDE ION, ...
Authors:Talon, R, Madern, D, Girard, E.
Deposit date:2014-01-11
Release date:2014-02-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:An Experimental Point of View on Hydration/Solvation in Halophilic Proteins.
Front.Microbiol., 5, 2014
7Q5P
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BU of 7q5p by Molmil
Structure of VgrG1 from Pseudomonas protegens.
Descriptor: Type VI secretion protein VgrG
Authors:Guenther, P, Quentin, D, Ahmad, S, Sachar, K, Gatsogiannis, C, Whitney, J.C, Raunser, S.
Deposit date:2021-11-04
Release date:2021-12-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of a bacterial Rhs effector exported by the type VI secretion system.
Plos Pathog., 18, 2022
7Q97
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BU of 7q97 by Molmil
Structure of the bacterial type VI secretion system effector RhsA.
Descriptor: Rhs family protein
Authors:Guenther, P, Quentin, D, Ahmad, S, Sachar, K, Gatsogiannis, C, Whitney, J.C, Raunser, S.
Deposit date:2021-11-12
Release date:2021-12-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of a bacterial Rhs effector exported by the type VI secretion system.
Plos Pathog., 18, 2022
3NIR
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BU of 3nir by Molmil
Crystal structure of small protein crambin at 0.48 A resolution
Descriptor: Crambin, ETHANOL
Authors:Schmidt, A, Teeter, M, Weckert, E, Lamzin, V.S.
Deposit date:2010-06-16
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.48 Å)
Cite:Crystal structure of small protein crambin at 0.48 A resolution
Acta Crystallogr.,Sect.F, 67, 2011
4DFI
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BU of 4dfi by Molmil
Crystal structure of cell adhesion molecule nectin-2/CD112 mutant FAMP
Descriptor: Poliovirus receptor-related protein 2
Authors:Liu, J, Qian, X, Chen, Z, Xu, X, Gao, F, Zhang, S, Zhang, R, Qi, J, Gao, G.F, Yan, J.
Deposit date:2012-01-23
Release date:2012-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Cell Adhesion Molecule Nectin-2/CD112 and Its Binding to Immune Receptor DNAM-1/CD226
J.Immunol., 188, 2012
4UTG
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BU of 4utg by Molmil
Burkholderia pseudomallei heptokinase WcbL,AMPPNP (ATP analogue) complex.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
Deposit date:2014-07-21
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
3NYV
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BU of 3nyv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with non-specific inhibitor WHI-P180
Descriptor: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Binding modes of non-specific inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from T. gondii and C. parvum
To be Published
4DR8
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BU of 4dr8 by Molmil
Crystal structure of a peptide deformylase from Synechococcus elongatus
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Lorimer, D, Abendroth, J, Craig, T, Burgin, A, Segall, A, Rohwer, F.
Deposit date:2012-02-17
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure and function of a cyanophage-encoded peptide deformylase.
ISME J, 7, 2013

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