2BH1
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![BU of 2bh1 by Molmil](/molmil-images/mine/2bh1) | X-ray structure of the general secretion pathway complex of the N- terminal domain of EpsE and the cytosolic domain of EpsL of Vibrio cholerae | Descriptor: | CALCIUM ION, GENERAL SECRETION PATHWAY PROTEIN E,, GENERAL SECRETION PATHWAY PROTEIN L | Authors: | Abendroth, J, Murphy, P.M, Mushtaq, A, Bagdasarian, M, Sandkvist, M, Hol, W.G.J. | Deposit date: | 2005-01-06 | Release date: | 2005-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The X-Ray Structure of the Type II Secretion System Complex Formed by the N-Terminal Domain of Epse and the Cytoplasmic Domain of Epsl of Vibrio Cholerae J.Mol.Biol., 348, 2005
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3FI2
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![BU of 3fi2 by Molmil](/molmil-images/mine/3fi2) | Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451 | Descriptor: | 1,2-ETHANEDIOL, 3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | Authors: | Habel, J.E. | Deposit date: | 2008-12-10 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38. J.Biol.Chem., 284, 2009
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1YF5
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![BU of 1yf5 by Molmil](/molmil-images/mine/1yf5) | Cyto-Epsl: The Cytoplasmic Domain Of Epsl, An Inner Membrane Component Of The Type II Secretion System Of Vibrio Cholerae | Descriptor: | General secretion pathway protein L | Authors: | Abendroth, J, Murphy, P, Mushtaq, A, Sandkvist, M, Bagdasarian, M, Hol, W.G. | Deposit date: | 2004-12-30 | Release date: | 2005-05-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The X-ray Structure of the Type II Secretion System Complex Formed by the N-terminal Domain of EpsE and the Cytoplasmic Domain of EpsL of Vibrio cholerae. J.Mol.Biol., 348, 2005
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1HCQ
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![BU of 1hcq by Molmil](/molmil-images/mine/1hcq) | THE CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR DNA-BINDING DOMAIN BOUND TO DNA: HOW RECEPTORS DISCRIMINATE BETWEEN THEIR RESPONSE ELEMENTS | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*GP*AP*CP*CP*T P*G)-3'), DNA (5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*CP*TP*GP*TP*GP*AP*CP*CP*T P*G)-3'), PROTEIN (ESTROGEN RECEPTOR), ... | Authors: | Schwabe, J.W.R, Chapman, L, Finch, J.T, Rhodes, D. | Deposit date: | 1995-01-04 | Release date: | 1995-11-23 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of the estrogen receptor DNA-binding domain bound to DNA: how receptors discriminate between their response elements. Cell(Cambridge,Mass.), 75, 1993
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5GTF
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![BU of 5gtf by Molmil](/molmil-images/mine/5gtf) | Crystal structure of onion lachrymatory factor synthase (LFS) containing glycerol | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Lachrymatory-factor synthase, ... | Authors: | Takabe, J, Arakawa, T, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S. | Deposit date: | 2016-08-20 | Release date: | 2017-08-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase Acs Catalysis, 10, 2020
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1GKP
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![BU of 1gkp by Molmil](/molmil-images/mine/1gkp) | D-Hydantoinase (Dihydropyrimidinase) from Thermus sp. in space group C2221 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HYDANTOINASE, SULFATE ION, ... | Authors: | Abendroth, J, Niefind, K, Schomburg, D. | Deposit date: | 2001-08-20 | Release date: | 2002-06-27 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.295 Å) | Cite: | X-Ray Structure of a Dihydropyrimidinase from Thermus Sp. At 1.3 A Resolution J.Mol.Biol., 320, 2002
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5GTE
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![BU of 5gte by Molmil](/molmil-images/mine/5gte) | Crystal structure of onion lachrymatory factor synthase (LFS), solute-free form | Descriptor: | Lachrymatory-factor synthase, SULFATE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | Authors: | Takabe, J, Arakawa, T, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S. | Deposit date: | 2016-08-20 | Release date: | 2017-08-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase Acs Catalysis, 10, 2020
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2VMB
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![BU of 2vmb by Molmil](/molmil-images/mine/2vmb) | The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae | Descriptor: | CALCIUM ION, GENERAL SECRETION PATHWAY PROTEIN F | Authors: | Abendroth, J, Korotkov, K.V, Mitchell, D.D, Kreger, A, Hol, W.G.J. | Deposit date: | 2008-01-25 | Release date: | 2009-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Three-Dimensional Structure of the Cytoplasmic Domains of Epsf from the Type 2 Secretion System of Vibrio Cholerae. J.Struct.Biol., 166, 2009
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3FI3
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![BU of 3fi3 by Molmil](/molmil-images/mine/3fi3) | Crystal structure of JNK3 with indazole inhibitor, SR-3737 | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | Authors: | Habel, J.E, Duckett, D, LoGrasso, P. | Deposit date: | 2008-12-10 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38. J.Biol.Chem., 284, 2009
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1HCP
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![BU of 1hcp by Molmil](/molmil-images/mine/1hcp) | |
1GKQ
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![BU of 1gkq by Molmil](/molmil-images/mine/1gkq) | |
4AA6
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![BU of 4aa6 by Molmil](/molmil-images/mine/4aa6) | The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative side-chain conformation | Descriptor: | 5'-D(*CP*TP*AP*AP*GP*TP*CP*AP*CP*AP*GP*TP*GP*AP *CP*CP*TP*G)-3', 5'-D(*TP*CP*AP*GP*GP*TP*CP*AP*CP*TP*GP*TP*GP*AP *CP*TP*TP*A)-3', ESTROGEN RECEPTOR, ... | Authors: | Schwabe, J.W, Chapman, L, Rhodes, D. | Deposit date: | 2011-11-30 | Release date: | 2011-12-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative side-chain conformation. Structure, 3, 1995
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3C1Q
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![BU of 3c1q by Molmil](/molmil-images/mine/3c1q) | The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Abendroth, J, Mitchell, D.D, Korotkov, K.V, Kreeger, A, Hol, W.G.J. | Deposit date: | 2008-01-24 | Release date: | 2009-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The three-dimensional structure of the cytoplasmic domains of EpsF from the type 2 secretion system of Vibrio cholerae J.Struct.Biol., 166, 2009
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3FV8
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![BU of 3fv8 by Molmil](/molmil-images/mine/3fv8) | 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
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6S89
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![BU of 6s89 by Molmil](/molmil-images/mine/6s89) | Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-07-09 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6S8A
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![BU of 6s8a by Molmil](/molmil-images/mine/6s8a) | Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19h | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-07-09 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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3RJM
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![BU of 3rjm by Molmil](/molmil-images/mine/3rjm) | CASPASE2 IN COMPLEX WITH CHDI LIGAND 33c | Descriptor: | Caspase-2, Peptide inhibitor (ACE)VDV(3PX)D-CHO | Authors: | Abendroth, J, Lorimer, D, Stewart, L, Maillard, M, Kiselyov, A.S. | Deposit date: | 2011-04-15 | Release date: | 2011-09-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Exploiting differences in caspase-2 and -3 S(2) subsites for selectivity: Structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors. Bioorg.Med.Chem., 19, 2011
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2R9S
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![BU of 2r9s by Molmil](/molmil-images/mine/2r9s) | c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 10, N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide, ... | Authors: | Habel, J. | Deposit date: | 2007-09-13 | Release date: | 2007-10-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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7MFC
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![BU of 7mfc by Molmil](/molmil-images/mine/7mfc) | |
1HG4
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![BU of 1hg4 by Molmil](/molmil-images/mine/1hg4) | |
6MOM
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![BU of 6mom by Molmil](/molmil-images/mine/6mom) | Crystal structure of human Interleukin-1 receptor associated Kinase 4 (IRAK 4, CID 100300) in complex with compound NCC00371481 (BSI 107591) | Descriptor: | 1,2-ETHANEDIOL, 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine, Interleukin-1 receptor-associated kinase 4 | Authors: | Abendroth, J, Mayclin, S.J, Lorimer, D.D, Starczynowski, D, Hoyt, S, Tawa, G, Thomas, C. | Deposit date: | 2018-10-04 | Release date: | 2019-10-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Overcoming adaptive therapy resistance in AML by targeting immune response pathways. Sci Transl Med, 11, 2019
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1GKR
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![BU of 1gkr by Molmil](/molmil-images/mine/1gkr) | |
1OW1
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![BU of 1ow1 by Molmil](/molmil-images/mine/1ow1) | |
5W07
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![BU of 5w07 by Molmil](/molmil-images/mine/5w07) | CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | Descriptor: | (~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Abendroth, J, Edwards, T.E, Lorimer, D. | Deposit date: | 2017-05-30 | Release date: | 2018-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of a cofactor-independent inhibitor of Mycobacterium tuberculosis InhA To Be Published
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2MWI
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![BU of 2mwi by Molmil](/molmil-images/mine/2mwi) | The structure of the carboxy-terminal domain of DNTTIP1 | Descriptor: | Deoxynucleotidyltransferase terminal-interacting protein 1 | Authors: | Schwabe, J.W.R, Muskett, F.W, Itoh, T. | Deposit date: | 2014-11-11 | Release date: | 2015-02-18 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural and functional characterization of a cell cycle associated HDAC1/2 complex reveals the structural basis for complex assembly and nucleosome targeting. Nucleic Acids Res., 43, 2015
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