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5G28
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BU of 5g28 by Molmil
The crystal structure of light-driven chloride pump ClR at pH 6.0.
Descriptor: CHLORIDE ION, CHLORIDE PUMPING RHODOPSIN, OLEIC ACID, ...
Authors:Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S.
Deposit date:2016-04-07
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016
8ELC
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BU of 8elc by Molmil
Human JNK2 bound to covalent inhibitor YL2056
Descriptor: 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9
Authors:Li, L, Gurbani, D, Westover, K.D.
Deposit date:2022-09-23
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.072 Å)
Cite:Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
6Y3V
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BU of 6y3v by Molmil
14-3-3 Sigma in complex with phosphorylated c-Jun peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ...
Authors:Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
Deposit date:2020-02-19
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
1IC2
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BU of 1ic2 by Molmil
DECIPHERING THE DESIGN OF THE TROPOMYOSIN MOLECULE
Descriptor: TROPOMYOSIN ALPHA CHAIN, SKELETAL MUSCLE
Authors:Brown, J.H, Kim, K.-H, Jun, G, Greenfield, N.J, Dominguez, R, Volkmann, N, Hitchcock-DeGregori, S.E, Cohen, C.
Deposit date:2001-03-29
Release date:2001-07-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deciphering the design of the tropomyosin molecule
Proc.Natl.Acad.Sci.USA, 98, 2001
1MJN
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BU of 1mjn by Molmil
Crystal Structure of the intermediate affinity aL I domain mutant
Descriptor: Integrin alpha-L, MAGNESIUM ION
Authors:Shimaoka, M, Xiao, T, Liu, J.H, Yang, Y.T, Dong, Y.C, Jun, C.D, McCormack, A, Zhang, R.G, Wang, J.H, Springer, T.A.
Deposit date:2002-08-28
Release date:2003-01-28
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of the alphaL I Domain and its Complex with ICAM-1 reveal a Shape-shifting Pathway for Integrin Regulation
Cell(Cambridge,Mass.), 112, 2003
5EPP
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BU of 5epp by Molmil
Structural Insights into the Interaction of p97 N-terminus Domain and VBM Motif in Rhomboid Protease, RHBDL4
Descriptor: Rhomboid-related protein 4, Transitional endoplasmic reticulum ATPase
Authors:Lim, J.J, Lee, Y, Ly, T.T, Kang, J.Y, Lee, J.-G, An, J.Y, Youn, H.-S, Park, K.R, Kim, T.G, Yang, J.K, Jun, Y, Eom, S.H.
Deposit date:2015-11-12
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural insights into the interaction of p97 N-terminus domain and VBM in rhomboid protease, RHBDL4.
Biochem.J., 473, 2016
8ENJ
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BU of 8enj by Molmil
Design, synthesis, biological evaluation, and X-ray crystallography of diarylpyrazole derivatives possessing terminal arylsulfonamide moieties as anti-proliferative agents targeting c-Jun N-terminal kinase (JNK)
Descriptor: Mitogen-activated protein kinase 10, N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide
Authors:Park, H, Mersal, K.I.
Deposit date:2022-09-30
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells.
Eur.J.Med.Chem., 261, 2023
3U95
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BU of 3u95 by Molmil
Crystal structure of a putative alpha-glucosidase from Thermotoga neapolitana
Descriptor: Glycoside hydrolase, family 4, MANGANESE (II) ION
Authors:Ha, N.C, Jun, S.Y, Yun, B.Y, Yoon, B.Y, Piao, S.
Deposit date:2011-10-17
Release date:2012-09-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Crystal structure and thermostability of a putative alpha-glucosidase from Thermotoga neapolitana
Biochem.Biophys.Res.Commun., 416, 2011
3FV8
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BU of 3fv8 by Molmil
JNK3 bound to piperazine amide inhibitor, SR2774.
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Habel, J.E.
Deposit date:2009-01-15
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
7CLT
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BU of 7clt by Molmil
Crystal structure of the EFhd1/Swiprosin-2, a mitochondrial actin-binding protein
Descriptor: CALCIUM ION, EF-hand domain-containing protein D1, GLYCEROL, ...
Authors:Mun, S.A, Park, J, Park, K.R, Lee, Y, Kang, J.Y, Park, T, Jin, M, Yang, J, Jun, C.D, Eom, S.H.
Deposit date:2020-07-22
Release date:2021-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07380986 Å)
Cite:Structural and Biochemical Characterization of EFhd1/Swiprosin-2, an Actin-Binding Protein in Mitochondria.
Front Cell Dev Biol, 8, 2020
7YQH
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BU of 7yqh by Molmil
Cryo-EM structure of 8-subunit Smc5/6
Descriptor: DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 3, ...
Authors:Qian, L, Jun, Z, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W.
Deposit date:2022-08-07
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Cryo-EM structure of 8-subunit Smc5/6
To Be Published
7YMD
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BU of 7ymd by Molmil
Cryo-EM structure of Nse1/3/4
Descriptor: Non-structural maintenance of chromosome element 3, Non-structural maintenance of chromosome element 4, Non-structural maintenance of chromosomes element 1
Authors:Qian, L, Jun, Z, Zhenguo, C, Lanfeng, W.
Deposit date:2022-07-28
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (4.176 Å)
Cite:Cryo-EM structure of Nse1/3/4
To Be Published
5FJG
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BU of 5fjg by Molmil
The crystal structure of light-driven chloride pump ClR in pH 4.5.
Descriptor: ANHYDRORETINOL, CHLORIDE ION, CHLORIDE PUMPING RHODOPSIN, ...
Authors:Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S.
Deposit date:2015-10-07
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Light-Driven Chloride Pump Clr in Ph 4.5.
To be Published
5GLF
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BU of 5glf by Molmil
Structural insights into the interaction of p97 N-terminal domain and SHP motif in Derlin-1 rhomboid pseudoprotease
Descriptor: Derlin-1, Transitional endoplasmic reticulum ATPase
Authors:Lim, J.J, Lee, Y, Yoon, S.Y, Ly, T.T, Kang, J.Y, Youn, H.-S, An, J.Y, Lee, J.-G, Park, K.R, Kim, T.G, Yang, J.K, Jun, Y, Eom, S.H.
Deposit date:2016-07-11
Release date:2016-11-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural insights into the interaction of human p97 N-terminal domain and SHP motif in Derlin-1 rhomboid pseudoprotease.
FEBS Lett., 590, 2016
5H0P
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BU of 5h0p by Molmil
Crystal structure of EF-hand protein mutant
Descriptor: CALCIUM ION, EF-hand domain-containing protein D2
Authors:Park, K.R, An, J.Y, Kang, J.Y, Lee, J.G, Youn, H.S, Lee, Y, Mun, S.A, Jun, C.D, Song, W.K, Eom, S.H.
Deposit date:2016-10-06
Release date:2017-09-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.862 Å)
Cite:Structural mechanism underlying regulation of human EFhd2/Swiprosin-1 actin-bundling activity by Ser183 phosphorylation.
Biochem. Biophys. Res. Commun., 483, 2017
1DEQ
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BU of 1deq by Molmil
THE CRYSTAL STRUCTURE OF MODIFIED BOVINE FIBRINOGEN (AT ~4 ANGSTROM RESOLUTION)
Descriptor: FIBRINOGEN, FIBRINOGEN (ALPHA CHAIN), FIBRINOGEN (BETA CHAIN), ...
Authors:Brown, J.H, Volkmann, N, Jun, G, Henschen-Edman, A.H, Cohen, C.
Deposit date:1999-11-15
Release date:2000-02-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The crystal structure of modified bovine fibrinogen.
Proc.Natl.Acad.Sci.USA, 97, 2000
6EQ9
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BU of 6eq9 by Molmil
Crystal structure of JNK3 in complex with AMP-PCP
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Macedo, J.T, Stehle, T, Blaum, B.S.
Deposit date:2017-10-12
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
6EKD
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BU of 6ekd by Molmil
Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ...
Authors:Macedo, J.T, Stehle, T, Blaum, B.S.
Deposit date:2017-09-26
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
6EMH
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BU of 6emh by Molmil
Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ...
Authors:Macedo, J.T, Stehle, T, Blaum, B.S.
Deposit date:2017-10-02
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
7YLM
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BU of 7ylm by Molmil
Cryo-EM structure of 8-subunit Smc5/6 hinge region
Descriptor: MMS21 isoform 1, SMC6 isoform 1, Structural maintenance of chromosomes protein 5
Authors:Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L.
Deposit date:2022-07-26
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (6.17 Å)
Cite:Cryo-EM structure of 8-subunit Smc5/6 hinge region
To Be Published
3OY1
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BU of 3oy1 by Molmil
Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties
Descriptor: 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Mitogen-activated protein kinase 10
Authors:Probst, G.D, Bowers, S, Sealy, J.M, Truong, A, Neitz, J, Hom, R.K, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Quincy, D, Pan, H, Yao, N.
Deposit date:2010-09-22
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
4HYS
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BU of 4hys by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-(4-Indazol-1-yl-pyrimidin-2-ylamino)-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-{[4-(1H-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol
Authors:Kuglstatter, A, Janson, C.
Deposit date:2012-11-14
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.415 Å)
Cite:Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.
Bioorg.Med.Chem.Lett., 23, 2013
4HYU
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BU of 4hyu by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(3-Methanesulfonyl-propoxy)-indazol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2012-11-14
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.
Bioorg.Med.Chem.Lett., 23, 2013
4LTD
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BU of 4ltd by Molmil
Crystal structures of NADH:FMN oxidoreductase (EMOB) - apo form
Descriptor: NADH-dependent FMN reductase, PHOSPHATE ION, SULFATE ION
Authors:Nissen, M.S, Youn, B, Knowles, B.D, Ballinger, J.W, Jun, S, Belchik, S.M, Xun, L, Kang, C.
Deposit date:2013-07-23
Release date:2013-08-07
Method:X-RAY DIFFRACTION (2.186 Å)
Cite:Crystal structures of NADH:FMN oxidoreductase (EmoB) at different stages of catalysis.
J.Biol.Chem., 283, 2008
4LTM
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BU of 4ltm by Molmil
Crystal structures of NADH:FMN oxidoreductase (EMOB) - FMN complex
Descriptor: FLAVIN MONONUCLEOTIDE, NADH-dependent FMN reductase, SULFATE ION
Authors:Nissen, M.S, Youn, B, Knowles, B.D, Ballinger, J.W, Jun, S, Belchik, S.M, Xun, L, Kang, C.
Deposit date:2013-07-23
Release date:2013-08-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Crystal structures of NADH:FMN oxidoreductase (EmoB) at different stages of catalysis.
J.Biol.Chem., 283, 2008

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