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4JR7
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BU of 4jr7 by Molmil
Crystal structure of scCK2 alpha in complex with GMPPNP
Descriptor: Casein kinase II subunit alpha, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Liu, H.
Deposit date:2013-03-21
Release date:2014-03-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
2J78
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BU of 2j78 by Molmil
Beta-glucosidase from Thermotoga maritima in complex with gluco- hydroximolactam
Descriptor: (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J.
Deposit date:2006-10-06
Release date:2006-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
2J7D
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BU of 2j7d by Molmil
Beta-glucosidase from Thermotoga maritima in complex with methoxycarbonyl-substituted glucoimidazole
Descriptor: ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ...
Authors:Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J.
Deposit date:2006-10-06
Release date:2006-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
2IYR
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BU of 2iyr by Molmil
Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate
Descriptor: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, SHIKIMATE KINASE
Authors:Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D.
Deposit date:2006-07-21
Release date:2006-10-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis.
J.Mol.Biol., 364, 2006
2IYW
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BU of 2iyw by Molmil
Shikimate kinase from Mycobacterium tuberculosis in complex with MgATP, open LID (conf. B)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SHIKIMATE KINASE
Authors:Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D.
Deposit date:2006-07-22
Release date:2006-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis.
J.Mol.Biol., 364, 2006
6XX9
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Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal form III
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Casein kinase II subunit alpha-1, SULFATE ION
Authors:Demulder, M, De Veylder, L, Loris, R.
Deposit date:2020-01-27
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.
Acta Crystallogr.,Sect.F, 76, 2020
2IYQ
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BU of 2iyq by Molmil
Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate and ADP
Descriptor: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D.
Deposit date:2006-07-21
Release date:2006-10-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis.
J.Mol.Biol., 364, 2006
2IXZ
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BU of 2ixz by Molmil
Solution structure of the apical stem-loop of the human hepatitis B virus encapsidation signal
Descriptor: 5'-R(*GP*CP*UP*GP*UP*GP*CP*CP)-3'
Authors:Flodell, S, Petersen, M, Girard, F, Zdunek, J, Kidd-Ljunggren, K, Schleucher, J, Wijmenga, S.S.
Deposit date:2006-07-11
Release date:2006-09-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the apical stem-loop of the human hepatitis B virus encapsidation signal.
Nucleic Acids Res., 34, 2006
2JH5
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BU of 2jh5 by Molmil
Human Thrombin Hirugen Inhibitor complex
Descriptor: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
Authors:Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
Deposit date:2007-02-20
Release date:2007-05-08
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
2JH0
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BU of 2jh0 by Molmil
Human Thrombin Hirugen Inhibitor complex
Descriptor: (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
Authors:Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
Deposit date:2007-02-19
Release date:2007-05-08
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
2JU7
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BU of 2ju7 by Molmil
Solution-State Structures of Oleate-Liganded LFABP, Protein Only
Descriptor: Fatty acid-binding protein, liver
Authors:He, Y, Yang, X, Wang, H, Estephan, R, Francis, F, Kodukula, S, Storch, J, Stark, R.E.
Deposit date:2007-08-15
Release date:2007-11-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution-State Molecular Structure of Apo and Oleate-Liganded Liver Fatty Acid-Binding Protein
Biochemistry, 46, 2007
2JCS
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BU of 2jcs by Molmil
Active site mutant of dNK from D. melanogaster with dTTP bound
Descriptor: DEOXYNUCLEOSIDE KINASE, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
Authors:Egeblad-Welin, L, Sonntag, Y, Eklund, H, Munch-Petersen, B.
Deposit date:2007-01-03
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional Studies of Active-Site Mutants from Drosophila Melanogaster Deoxyribonucleoside Kinase. Investigations of the Putative Catalytic Glutamate- Arginine Pair and of Residues Responsible for Substrate Specificity.
FEBS J., 274, 2007
2JBK
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BU of 2jbk by Molmil
membrane-bound glutamate carboxypeptidase II (GCPII) in complex with quisqualic acid (quisqualate, alpha-amino-3,5-dioxo-1,2,4- oxadiazolidine-2-propanoic acid)
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mesters, J.R, Henning, K, Hilgenfeld, R.
Deposit date:2006-12-07
Release date:2006-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Human Glutamate Carboxypeptidase II Inhibition: Structures of Gcpii in Complex with Two Potent Inhibitors, Quisqualate and 2-Pmpa.
Acta Crystallogr.,Sect.D, 63, 2007
2MLH
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BU of 2mlh by Molmil
NMR Solution Structure of Opa60 from N. Gonorrhoeae in FC-12 Micelles
Descriptor: Opacity protein opA60
Authors:Fox, D.A, Larsson, P, Lo, R.H, Kroncke, B.M, Kasson, P.M, Columbus, L.
Deposit date:2014-02-27
Release date:2014-06-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the neisserial outer membrane protein opa60: loop flexibility essential to receptor recognition and bacterial engulfment.
J.Am.Chem.Soc., 136, 2014
2LWA
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BU of 2lwa by Molmil
Conformational ensemble for the G8A mutant of the influenza hemagglutinin fusion peptide
Descriptor: HEMAGGLUTININ FUSION PEPTIDE G8A MUTANT
Authors:Lorieau, J.L, Louis, J.M, Schwieters, C.D, Bax, A.
Deposit date:2012-07-26
Release date:2012-12-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:pH-triggered, activated-state conformations of the influenza hemagglutinin fusion peptide revealed by NMR.
Proc.Natl.Acad.Sci.USA, 109, 2012
2M4Z
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BU of 2m4z by Molmil
Analysis of the structural and molecular basis of voltage-sensitive sodium channel inhibition by the spider toxin, Huwentoxin-IV (-TRTX-Hh2a).
Descriptor: Mu-theraphotoxin-Hh2a
Authors:Gibbs, A.
Deposit date:2013-02-12
Release date:2013-06-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV ( mu-TRTX-Hh2a).
J.Biol.Chem., 288, 2013
6FG5
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BU of 6fg5 by Molmil
Schistosoma mansoni Phosphodiesterase 4A
Descriptor: MAGNESIUM ION, Phosphodiesterase, ZINC ION
Authors:Brown, D.G, Schroeder, S, Gil, C.
Deposit date:2018-01-10
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The structure of Schistosoma mansoni Phosphodiesterase 4A
To Be Published
2M4M
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BU of 2m4m by Molmil
Solution structure of the RRM domain of the hypothetical protein CAGL0M09691g from Candida glabrata
Descriptor: hypothetical protein
Authors:Harris, R, Hillerich, B, Ahmed, M, Bonanno, J.B, Chamala, S, Evans, B, Lafleur, J, Hammonds, J, Washington, E, Stead, M, Love, J, Attonito, J, Patel, H, Seidel, R.D, Chook, Y.M, Rout, M.P, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals)
Deposit date:2013-02-07
Release date:2013-02-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the RRM domain of the hypothetical protein CAGL0M09691g from Candida glabrata
To be Published
8VU6
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BU of 8vu6 by Molmil
Wheat Germ Agglutinin (WGA) domain A
Descriptor: Agglutinin isolectin 1
Authors:Titaux-Delgado, G.A, del Rio-Portilla, F, Garcia-Hernandez, E.
Deposit date:2024-01-29
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study.
Protein Sci., 33, 2024
8VU8
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BU of 8vu8 by Molmil
Wheat Germ Agglutinin (WGA) domain D
Descriptor: Agglutinin isolectin 3
Authors:Titaux-Delgado, G.A, del Rio-Portilla, F, Garcia-Hernandez, E.
Deposit date:2024-01-29
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study.
Protein Sci., 33, 2024
8VU7
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BU of 8vu7 by Molmil
Wheat Germ Agglutinin (WGA) domain C
Descriptor: Agglutinin isolectin 1
Authors:Melchor-Meneses, C.M, del Rio-Portilla, F, Garcia-Hernandez, E.
Deposit date:2024-01-29
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study.
Protein Sci., 33, 2024
2M36
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BU of 2m36 by Molmil
Solution structure of the insecticidal spider-venom peptide Aps III
Descriptor: U2-cyrtautoxin-As1a
Authors:King, G.F, Bende, N.S, Mobli, M.
Deposit date:2013-01-10
Release date:2013-03-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The insecticidal neurotoxin Aps III is an atypical knottin peptide that potently blocks insect voltage-gated sodium channels.
Biochem Pharmacol, 85, 2013
2MES
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BU of 2mes by Molmil
Backbone 1H, 13C, 15N resonance assignments of calcium-bound calmodulin in complex with PSD95 N-terminal peptide
Descriptor: CALCIUM ION, Calmodulin, Disks large homolog 4
Authors:Zhang, Y, Ames, J.B.
Deposit date:2013-09-26
Release date:2014-12-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Capping of the N-terminus of PSD-95 by calmodulin triggers its postsynaptic release.
Embo J., 33, 2014
2M8P
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BU of 2m8p by Molmil
The structure of the W184AM185A mutant of the HIV-1 capsid protein
Descriptor: Capsid protein p24
Authors:Deshmukh, L, Schwieters, C.D, Grishaev, A, Clore, G, Ghirlando, R.
Deposit date:2013-05-24
Release date:2013-11-20
Last modified:2023-06-14
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Structure and Dynamics of Full-Length HIV-1 Capsid Protein in Solution.
J.Am.Chem.Soc., 135, 2013
2M4N
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BU of 2m4n by Molmil
Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans
Descriptor: Protein AFD-1, isoform a
Authors:Harris, R, Hillerich, B, Ahmed, M, Bonanno, J.B, Chamala, S, Evans, B, Lafleur, J, Hammonds, J, Washington, E, Stead, M, Love, J, Attonito, J, Seidel, R.D, Liddington, R.C, Weis, W.I, Nelson, W.J, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Assembly, Dynamics and Evolution of Cell-Cell and Cell-Matrix Adhesions (CELLMAT)
Deposit date:2013-02-07
Release date:2013-03-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans
To be Published

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PDB entries from 2024-09-11

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