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4KIN
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BU of 4kin by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE
Descriptor: 5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S, Tokarski, J.S.
Deposit date:2013-05-02
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
7UNB
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BU of 7unb by Molmil
Crystal structure of malaria transmission-blocking antigen Pfs48/45-6C variant in complex with human antibodies RUPA-117 and RUPA-47
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gametocyte surface protein P45/48, RUPA-117 Fab heavy chain, ...
Authors:Hailemariam, S, McLeod, B, Julien, J.-P.
Deposit date:2022-04-10
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Vaccination with a structure-based stabilized version of malarial antigen Pfs48/45 elicits ultra-potent transmission-blocking antibody responses.
Immunity, 55, 2022
4KS7
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BU of 4ks7 by Molmil
PAK6 kinase domain in complex with PF-3758309
Descriptor: ISOPROPYL ALCOHOL, PF-3758309, Serine/threonine-protein kinase PAK 6
Authors:Gao, J, Boggon, T.J.
Deposit date:2013-05-17
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Substrate and Inhibitor Specificity of the Type II p21-Activated Kinase, PAK6.
Plos One, 8, 2013
4NBM
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BU of 4nbm by Molmil
Crystal structure of UVB photoreceptor UVR8 and light-induced structural changes at 180K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Zhao, K.-H, Ren, Z.
Deposit date:2013-10-23
Release date:2016-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
4NAA
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BU of 4naa by Molmil
Crystal structure of UVB photoreceptor UVR8 from Arabidopsis thaliana and UV-induced structural changes at 120K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Ren, Z, Zhao, K.H.
Deposit date:2013-10-22
Release date:2016-10-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
3FHM
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BU of 3fhm by Molmil
Crystal structure of the CBS-domain containing protein ATU1752 from Agrobacterium tumefaciens
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE MONOPHOSPHATE, SULFATE ION, ...
Authors:Singer, A.U, Xu, X, Zhang, R, Cui, H, Kudritsdka, M, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-12-09
Release date:2009-01-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the CBS-domain containing protein ATU1752 from Agrobacterium tumefaciens
To be Published
1V6N
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BU of 1v6n by Molmil
Peanut lectin with 9mer peptide (PVIWSSATG)
Descriptor: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION
Authors:Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
Deposit date:2003-12-02
Release date:2004-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
1ZKC
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BU of 1zkc by Molmil
Crystal Structure of the cyclophiln_RING domain of human peptidylprolyl isomerase (cyclophilin)-like 2 isoform b
Descriptor: BETA-MERCAPTOETHANOL, Peptidyl-prolyl cis-trans isomerase like 2
Authors:Walker, J.R, Davis, T, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-05-02
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
3BQ7
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BU of 3bq7 by Molmil
SAM domain of Diacylglycerol Kinase delta1 (E35G)
Descriptor: Diacylglycerol kinase delta
Authors:Knight, M.J, Bowie, J.U, Sawaya, M.R.
Deposit date:2007-12-19
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Regulation of Enzyme Localization by Polymerization: Polymer Formation by the SAM Domain of Diacylglycerol Kinase delta1
Structure, 16, 2008
1ZZV
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BU of 1zzv by Molmil
Solution NMR Structure of the Periplasmic Signaling Domain of the Outer Membrane Iron Transporter FecA from Escherichia coli.
Descriptor: Iron(III) dicitrate transport protein fecA
Authors:Ferguson, A.D, Amezcua, C.A, Chelliah, Y, Rosen, M.K, Deisenhofer, J.
Deposit date:2005-06-14
Release date:2006-09-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Signal transduction pathway of TonB-dependent transporters.
Proc.Natl.Acad.Sci.Usa, 2, 2006
2A02
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BU of 2a02 by Molmil
Solution NMR Structure of the Periplasmic Signaling Domain of the Outer Membrane Iron Transporter PupA from Pseudomonas putida.
Descriptor: Ferric-pseudobactin 358 receptor
Authors:Ferguson, A.D, Amezcua, C.A, Chelliah, Y, Rosen, M.K, Deisenhofer, J.
Deposit date:2005-06-15
Release date:2006-09-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Signal transduction pathway of TonB-dependent transporters.
Proc.Natl.Acad.Sci.Usa, 2, 2006
4QRT
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BU of 4qrt by Molmil
Crystal Structure of HLA B*0801 in complex with ELN_YYM, ELNRKMIYM
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Twist, K.-A, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-07-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire.
Sci Rep, 4, 2014
4QRU
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BU of 4qru by Molmil
Crystal Structure of HLA B*0801 in complex with ELR_MYM, ELRRKMMYM
Descriptor: 55 kDa immediate-early protein 1, ACETATE ION, Beta-2-microglobulin, ...
Authors:Gras, S, Twist, K.-A, Rossjohn, J.
Deposit date:2014-07-02
Release date:2015-02-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire.
Sci Rep, 4, 2014
1V6M
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BU of 1v6m by Molmil
Peanut Lectin with 9mer peptide (IWSSAGNVA)
Descriptor: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION
Authors:Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
Deposit date:2003-12-02
Release date:2004-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
3KXF
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BU of 3kxf by Molmil
Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
Authors:Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
Deposit date:2009-12-03
Release date:2010-06-09
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 107, 2010
4C11
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BU of 4c11 by Molmil
Dengue virus RNA dependent RNA polymerase with residues from the NS5 linker region
Descriptor: DENGUE VIRUS TYPE 3 RNA DEPENDENT RNA POLYMERASE, ZINC ION
Authors:Lim, S.P, Lescar, J.
Deposit date:2013-08-09
Release date:2013-08-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Crystal Structure of the Dengue Virus Ns5 Polymerase Delineates Inter-Domain Amino Acids Residues that Enhance its Thermostability and De Novo Initiation Activities.
J.Biol.Chem., 288, 2013
3VCL
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BU of 3vcl by Molmil
Crystal Structure of HLA-B7 with the HCMV pp65 peptide RPHERNGFTVL
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Petersen, J, Rossjohn, J.
Deposit date:2012-01-04
Release date:2012-11-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The impact of a large and frequent deletion in the human TCR beta locus on antiviral immunity
J.Immunol., 188, 2012
3KWW
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BU of 3kww by Molmil
Crystal structure of the 'restriction triad' mutant of HLA B*3508, beta-2-microglobulin and EBV peptide
Descriptor: ACETIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
Deposit date:2009-12-01
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 2010
6LB8
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BU of 6lb8 by Molmil
Crystal structure of the Ca2+-free T4L-MICU1-MICU2 complex
Descriptor: Calcium uptake protein 2, mitochondrial, Endolysin,Calcium uptake protein 1
Authors:Wu, W, Shen, Q, Zheng, J, Jia, Z.
Deposit date:2019-11-13
Release date:2020-07-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.283 Å)
Cite:The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter.
Embo J., 39, 2020
6LB7
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BU of 6lb7 by Molmil
Crystal structure of the Ca2+-free and Ca2+-bound MICU1-MICU2 complex
Descriptor: CALCIUM ION, Calcium uptake protein 1, mitochondrial, ...
Authors:Wu, W, Shen, Q, Zheng, J, Jia, Z.
Deposit date:2019-11-13
Release date:2020-07-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter.
Embo J., 39, 2020
2ORQ
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BU of 2orq by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex
Descriptor: 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORR
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BU of 2orr by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex
Descriptor: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE, Nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORT
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BU of 2ort by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex
Descriptor: (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE, Nitric oxide synthase, inducible, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORS
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BU of 2ors by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex
Descriptor: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2M8J
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BU of 2m8j by Molmil
Structure of Pin1 WW domain phospho-mimic S16E
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Luh, L.M, Kirchner, D.K, Loehr, F, Haensel, R, Doetsch, V.
Deposit date:2013-05-22
Release date:2014-04-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular crowding drives active Pin1 into nonspecific complexes with endogenous proteins prior to substrate recognition.
J.Am.Chem.Soc., 135, 2013

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