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4QP2
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BU of 4qp2 by Molmil
Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine
Descriptor: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4L55
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BU of 4l55 by Molmil
X-ray structure of the adduct between bovine pancreatic ribonuclease and AziRu
Descriptor: RUTHENIUM ION, Ribonuclease pancreatic
Authors:Vergara, A, Russo Krauss, I, Merlino, A.
Deposit date:2013-06-10
Release date:2014-01-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Investigating the ruthenium metalation of proteins: X-ray structure and Raman microspectroscopy of the complex between RNase A and AziRu.
Inorg.Chem., 52, 2013
4QP8
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BU of 4qp8 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.446 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4GT3
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BU of 4gt3 by Molmil
ATP-bound form of the ERK2 kinase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Pozharski, E, Zhang, J, Shapiro, P.
Deposit date:2012-08-28
Release date:2012-09-12
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:ATP-bound form of the ERK2 kinase
TO BE PUBLISHED
2ERK
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BU of 2erk by Molmil
PHOSPHORYLATED MAP KINASE ERK2
Descriptor: EXTRACELLULAR SIGNAL-REGULATED KINASE 2
Authors:Canagarajah, B.J, Goldsmith, E.J.
Deposit date:1997-06-26
Release date:1998-07-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Activation mechanism of the MAP kinase ERK2 by dual phosphorylation.
Cell(Cambridge,Mass.), 90, 1997
4QPG
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BU of 4qpg by Molmil
Crystal structure of empty hepatitis A virus
Descriptor: CHLORIDE ION, Capsid protein VP0, Capsid protein VP1, ...
Authors:Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
Deposit date:2014-06-23
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Hepatitis A virus and the origins of picornaviruses.
Nature, 517, 2015
2KJ9
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BU of 2kj9 by Molmil
NMR structure of IntB phage-integrase-like protein fragment 90-199 from Erwinia carotova subsp. atroseptica: Northeast Structural Genomics Consortium target EwR217E
Descriptor: Integrase
Authors:Cort, J.R, Ramelot, T.A, Wang, D, Ciccosanti, C, Janjua, H, Nair, R, Rost, B, Swapna, G, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-05-25
Release date:2009-07-07
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR structure of IntB phage-integrase-like protein fragment 90-199 from Erwinia carotova subsp. atroseptica
To be Published
3JPV
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BU of 3jpv by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand
Descriptor: 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde, Peptide (PIMTIDE) ARKRRRHPSGPPTA, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Filippakopoulos, P, Bullock, A.N, Fedorov, O, Akue-Gedu, R, Rossignol, E, Azzaro, S, Bain, J, Cohen, P, Prudhomme, M, Moreau, P, Amizon, F, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-09-04
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new pim kinase inhibitors.
J.Med.Chem., 52, 2009
2NRT
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BU of 2nrt by Molmil
Crystal structure of the C-terminal half of UvrC
Descriptor: CHLORIDE ION, UvrABC system protein C
Authors:Karakas, E, Truglio, J.J, Kisker, C.
Deposit date:2006-11-02
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
2ZP8
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BU of 2zp8 by Molmil
The Nature of the TRAP:Anti-TRAP complex
Descriptor: TRYPTOPHAN, Transcription attenuation protein mtrB, Tryptophan RNA-binding attenuator protein-inhibitory protein, ...
Authors:Watanabe, M, Heddle, J.G, Unzai, S, Akashi, S, Park, S.Y, Tame, J.R.H.
Deposit date:2008-07-08
Release date:2009-02-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The nature of the TRAP-Anti-TRAP complex.
Proc.Natl.Acad.Sci.USA, 106, 2009
4LFX
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BU of 4lfx by Molmil
X-ray structure of the adduct between hen egg white lysozyme and Auoxo6, a dinuclear gold(III) complex with -dioxo bridges linking the two metal centers
Descriptor: CHLORIDE ION, GOLD ION, Lysozyme C, ...
Authors:Vergara, A, Merlino, A.
Deposit date:2013-06-27
Release date:2013-10-02
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The mode of action of anticancer gold-based drugs: a structural perspective.
Chem.Commun.(Camb.), 49, 2013
4LGB
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BU of 4lgb by Molmil
ABA-mimicking ligand N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ...
Authors:Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
6ZTQ
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BU of 6ztq by Molmil
Cryo-EM structure of respiratory complex I from Mus musculus inhibited by piericidin A at 3.0 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J.
Deposit date:2020-07-20
Release date:2020-10-21
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
4LFP
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BU of 4lfp by Molmil
X-ray structure of the adduct between hen egg white lysozyme and a homoleptic gold(I) complex with the saccharynate ligand
Descriptor: CHLORIDE ION, GOLD ION, Lysozyme C, ...
Authors:Vergara, A, Merlino, A.
Deposit date:2013-06-27
Release date:2013-10-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The mode of action of anticancer gold-based drugs: a structural perspective.
Chem.Commun.(Camb.), 49, 2013
4LG5
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BU of 4lg5 by Molmil
ABA-mimicking ligand QUINABACTIN in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: Abscisic acid receptor PYL2, MAGNESIUM ION, Protein phosphatase 2C 16, ...
Authors:Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
4LGA
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BU of 4lga by Molmil
ABA-mimicking ligand N-(2-OXO-1-PROPYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-PHENYLMETHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide, ...
Authors:Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
3JXW
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BU of 3jxw by Molmil
Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
Descriptor: 8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Stoll, V.S.
Deposit date:2009-09-21
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
TO BE PUBLISHED
4GVA
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BU of 4gva by Molmil
ADP-bound form of the ERK2 kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Mitogen-activated protein kinase 1
Authors:Pozharski, E, Zhang, J, Shapiro, P.
Deposit date:2012-08-30
Release date:2012-09-12
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:ADP-bound form of the ERK2 kinase
TO BE PUBLISHED
4LKM
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BU of 4lkm by Molmil
Crystal structure of Plk1 Polo-box domain in complex with PL-74
Descriptor: GLYCEROL, PL-74, SULFATE ION, ...
Authors:Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2013-07-08
Release date:2013-12-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1
Plos One, 8, 2013
2ZCZ
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BU of 2zcz by Molmil
Crystal structures and thermostability of mutant TRAP3 A7 (ENGINEERED TRAP)
Descriptor: TRYPTOPHAN, Transcription attenuation protein mtrB
Authors:Watanabe, M, Mishima, Y, Yamashita, I, Park, S.Y, Tame, J.R.H, Heddle, J.G.
Deposit date:2007-11-15
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Intersubunit linker length as a modifier of protein stability: crystal structures and thermostability of mutant TRAP.
Protein Sci., 17, 2008
8B7F
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BU of 8b7f by Molmil
Nuclease from C. glutamicum
Descriptor: Ubiquitin-like protein SMT3,MksG
Authors:Wehenkel, A, Ben Assaya, M, Haouz, A.
Deposit date:2022-09-29
Release date:2023-03-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:The MksG nuclease is the executing part of the bacterial plasmid defense system MksBEFG.
Nucleic Acids Res., 51, 2023
3JBO
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BU of 3jbo by Molmil
Cryo-electron microscopy reconstruction of the Plasmodium falciparum 80S ribosome bound to P/E-tRNA
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein eS1, ...
Authors:Sun, M, Li, W, Blomqvist, K, Das, S, Hashem, Y, Dvorin, J.D, Frank, J.
Deposit date:2015-09-16
Release date:2015-10-14
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Dynamical features of the Plasmodium falciparum ribosome during translation.
Nucleic Acids Res., 43, 2015
3DJI
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BU of 3dji by Molmil
Crystal Structure of Macrophage Migration Inhibitory Factor Bound to an Acetaminophen Dimer Derived from NAPQI
Descriptor: CHLORIDE ION, Macrophage migration inhibitory factor, N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide
Authors:Crichlow, G.V, Lolis, E.
Deposit date:2008-06-23
Release date:2008-12-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and kinetic analyses of macrophage migration inhibitory factor active site interactions.
Biochemistry, 48, 2009
3JV0
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BU of 3jv0 by Molmil
Crystal structure of a mutant of RelB dimerization domain(M6)
Descriptor: Transcription factor RelB
Authors:Vu, D, Huang, D.B, Ghosh, G.
Deposit date:2009-09-15
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Instability of the RelB dimerization domain is functionally importent
To be Published
3JBN
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BU of 3jbn by Molmil
Cryo-electron microscopy reconstruction of the Plasmodium falciparum 80S ribosome bound to P-tRNA
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein eS1, ...
Authors:Sun, M, Li, W, Blomqvist, K, Das, S, Hashem, Y, Dvorin, J.D, Frank, J.
Deposit date:2015-09-16
Release date:2015-10-14
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Dynamical features of the Plasmodium falciparum ribosome during translation.
Nucleic Acids Res., 43, 2015

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