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5AX3
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BU of 5ax3 by Molmil
Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors.
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 1, allosteric and ATP-competitive inhibitor
Authors:Kinoshita, T, Sugiyama, H, Mori, Y, Takahashi, N, Tomonaga, A.
Deposit date:2015-07-14
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay
Bioorg.Med.Chem.Lett., 26, 2016
8CCN
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BU of 8ccn by Molmil
Filamentous actin II from Plasmodium falciparum
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-2, MAGNESIUM ION
Authors:Kursula, I, Lopez, A.J.
Deposit date:2023-01-27
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and function of Plasmodium actin II in the parasite mosquito stages.
Plos Pathog., 19, 2023
8CCO
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BU of 8cco by Molmil
JAS-stabilized F-ActinII from Plasmodium falciparum
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-2, Jasplakinolide, ...
Authors:Kursula, I, Lopez, A.J.
Deposit date:2023-01-27
Release date:2023-03-01
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structure and function of Plasmodium actin II in the parasite mosquito stages.
Plos Pathog., 19, 2023
8C3N
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BU of 8c3n by Molmil
Stapled peptide SP30 in complex with humanised RadA mutant HumRadA22
Descriptor: 4,6-diethylpyrimidin-2-amine, ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility protein, ...
Authors:Pantelejevs, T, Hyvonen, M.
Deposit date:2022-12-27
Release date:2023-03-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase.
Chem Sci, 14, 2023
5Z3J
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BU of 5z3j by Molmil
Crystal Structure of Abrin A chain (Recombinant) in complex with Nicotinamide at 1.7 Angstroms
Descriptor: Abrin A-chain, IMIDAZOLE, NICOTINAMIDE
Authors:Bansia, H, Karande, A.A, Ramakumar, S.
Deposit date:2018-01-08
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for neutralization of cytotoxic abrin by monoclonal antibody D6F10.
FEBS J., 286, 2019
5A2Q
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BU of 5a2q by Molmil
Structure of the HCV IRES bound to the human ribosome
Descriptor: 18S RRNA, HCV IRES, MAGNESIUM ION, ...
Authors:Quade, N, Leiundgut, M, Boehringer, D, Heuvel, J.v.d, Ban, N.
Deposit date:2015-05-21
Release date:2015-07-15
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-Em Structure of Hepatitis C Virus Ires Bound to the Human Ribosome at 3.9 Angstrom Resolution
Nat.Commun., 6, 2015
5Z3I
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BU of 5z3i by Molmil
Crystal Structure of Abrin A chain (Recombinant) in complex with Adenine at 1.65 Angstroms
Descriptor: ADENINE, Abrin A-chain
Authors:Bansia, H, Karande, A.A, Ramakumar, S.
Deposit date:2018-01-08
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for neutralization of cytotoxic abrin by monoclonal antibody D6F10.
FEBS J., 286, 2019
4YYP
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BU of 4yyp by Molmil
Crystal structure of human PLK4-PB3 in complex with STIL-CC
Descriptor: CHLORIDE ION, SCL-interrupting locus protein, Serine/threonine-protein kinase PLK4
Authors:Imseng, S, Arquint, C, Gabryjonczyk, A, Boehm, R, Sauer, E, Hiller, S, Nigg, E.A, Maier, T.
Deposit date:2015-03-24
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:STIL binding to Polo-box 3 of PLK4 regulates centriole duplication.
Elife, 4, 2015
5BUJ
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BU of 5buj by Molmil
ERK2 complexed with a N-H tetrahydroazaindazole
Descriptor: 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
Authors:Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
Deposit date:2015-06-03
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
3ZIR
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BU of 3zir by Molmil
minor-site specific NLS (B141)
Descriptor: B141NLS, IMPORTIN SUBUNIT ALPHA-2
Authors:Chang, C.-W, Counago, R.M, Williams, S.J, Kobe, B.
Deposit date:2013-01-10
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Distinctive Conformation of Minor Site-Specific Nuclear Localization Signals Bound to Importin-Alpha
Traffic, 14, 2013
2VAB
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BU of 2vab by Molmil
MHC CLASS I H-2KB HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND SENDAI VIRUS NUCLEOPROTEIN
Descriptor: BETA-2 MICROGLOBULIN, MHC CLASS I H-2KB HEAVY CHAIN, SENDAI VIRUS NUCLEOPROTEIN
Authors:Fremont, D.H, Wilson, I.A.
Deposit date:1994-11-01
Release date:1996-06-20
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of two viral peptides in complex with murine MHC class I H-2Kb.
Science, 257, 1992
2VAA
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BU of 2vaa by Molmil
MHC CLASS I H-2KB HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND VESICULAR STOMATITIS VIRUS NUCLEOPROTEIN
Descriptor: BETA-2 MICROGLOBULIN, MHC CLASS I H-2KB HEAVY CHAIN, VESICULAR STOMATITIS VIRUS NUCLEOPROTEIN
Authors:Fremont, D.H, Wilson, I.A.
Deposit date:1994-11-01
Release date:1996-06-20
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of two viral peptides in complex with murine MHC class I H-2Kb.
Science, 257, 1992
3MAV
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BU of 3mav by Molmil
Crystal structure of Plasmodium vivax putative farnesyl pyrophosphate synthase (Pv092040)
Descriptor: Farnesyl pyrophosphate synthase, SULFATE ION
Authors:Dong, A, Dunford, J, Lew, J, Wernimont, A.K, Ren, H, Zhao, Y, Koeieradzki, I, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2010-03-24
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites.
J.Biol.Chem., 286, 2011
3U3W
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BU of 3u3w by Molmil
Crystal Structure of Bacillus thuringiensis PlcR in complex with the peptide PapR7 and DNA
Descriptor: 5'-D(P*AP*TP*AP*TP*GP*AP*AP*AP*TP*AP*TP*TP*GP*CP*AP*TP*AP*G)-3', 5'-D(P*CP*TP*AP*TP*GP*CP*AP*AP*TP*AP*TP*TP*TP*CP*AP*TP*AP*T)-3', C-terminus heptapeptide from PapR protein, ...
Authors:Grenha, R, Slamti, L, Bouillaut, L, Lereclus, D, Nessler, S.
Deposit date:2011-10-06
Release date:2013-01-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the activation mechanism of the PlcR virulence regulator by the quorum-sensing signal peptide PapR.
Proc.Natl.Acad.Sci.USA, 110, 2013
2POR
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BU of 2por by Molmil
STRUCTURE OF PORIN REFINED AT 1.8 ANGSTROMS RESOLUTION
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, PORIN
Authors:Weiss, M.S, Schulz, G.E.
Deposit date:1992-04-24
Release date:1993-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of porin refined at 1.8 A resolution.
J.Mol.Biol., 227, 1992
4IAC
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BU of 4iac by Molmil
X-RAY structure of cAMP dependent protein kinase A in complex with HIGH MG2+ concentration, AMP-PCP AND pseudo-substrate peptide SP20
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Peptide SP20, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IAI
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BU of 4iai by Molmil
X-ray Structure of cAMP dependent protein kinase A in complex with high Ca2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CARBONATE ION, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4LFV
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BU of 4lfv by Molmil
Crystal structure of human FPPS in complex with YS0470 and two molecules of inorganic phosphate
Descriptor: CHLORIDE ION, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2013-06-27
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human farnesyl pyrophosphate synthase in complex with an aminopyridine bisphosphonate and two molecules of inorganic phosphate.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4GSS
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BU of 4gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y108F MUTANT
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
Authors:Oakley, A, Rossjohn, J, Parker, M.
Deposit date:1997-01-20
Release date:1998-01-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multifunctional role of Tyr 108 in the catalytic mechanism of human glutathione transferase P1-1. Crystallographic and kinetic studies on the Y108F mutant enzyme.
Biochemistry, 36, 1997
1JJD
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BU of 1jjd by Molmil
NMR structure of the Cyanobacterial Metallothionein SmtA
Descriptor: METALLOTHIONEIN, ZINC ION
Authors:Sadler, P.J, Robinson, N.J.
Deposit date:2001-07-04
Release date:2001-08-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A metallothionein containing a zinc finger within a four-metal cluster protects a bacterium from zinc toxicity.
Proc.Natl.Acad.Sci.USA, 98, 2001
2HYI
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BU of 2hyi by Molmil
Structure of the human exon junction complex with a trapped DEAD-box helicase bound to RNA
Descriptor: 5'-R(*UP*UP*UP*UP*UP*U)-3', MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Andersen, C.B.F, Le Hir, H, Andersen, G.R.
Deposit date:2006-08-06
Release date:2006-08-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the exon junction core complex with a trapped DEAD-box ATPase bound to RNA.
Science, 313, 2006
7VMN
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BU of 7vmn by Molmil
Structure of recombinant RyR2 (EGTA dataset, class 2, closed state)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION
Authors:Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H.
Deposit date:2021-10-09
Release date:2022-08-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations.
Nat Commun, 13, 2022
7VMO
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BU of 7vmo by Molmil
Structure of recombinant RyR2 (Ca2+ dataset, class 1, open state)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ...
Authors:Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H.
Deposit date:2021-10-09
Release date:2022-08-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations.
Nat Commun, 13, 2022
7VMP
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BU of 7vmp by Molmil
Structure of recombinant RyR2 (Ca2+ dataset, class 2, open state)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ...
Authors:Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H.
Deposit date:2021-10-09
Release date:2022-08-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations.
Nat Commun, 13, 2022
7TDD
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BU of 7tdd by Molmil
AtTPC1 D454N-EDTA state II
Descriptor: Two pore calcium channel protein 1
Authors:Dickinson, M.S, Stroud, R.M.
Deposit date:2021-12-30
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular basis of multistep voltage activation in plant two-pore channel 1.
Proc.Natl.Acad.Sci.USA, 119, 2022

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