5UVM
 
 | | HIT family hydrolase from Clostridium thermocellum Cth-393 | | Descriptor: | ADENOSINE, Histidine triad (HIT) protein, UNKNOWN ATOM OR ION, ... | | Authors: | Habel, J, Tempel, W, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2017-02-20 | | Release date: | 2017-04-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | HIT family hydrolase from Clostridium thermocellum Cth-393
To Be Published
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5VRL
 | | 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: | 2017-05-11 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018
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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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3KVX
 | | JNK3 bound to aminopyrimidine inhibitor, SR-3562 | | Descriptor: | Mitogen-activated protein kinase 10, N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline | | Authors: | Habel, J.E, Laughlin, J.D, LoGrasso, P. | | Deposit date: | 2009-11-30 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis, Biological Evaluation, X-ray Structure, and Pharmacokinetics of Aminopyrimidine c-jun-N-terminal Kinase (JNK) Inhibitors
J.Med.Chem., 53, 2010
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3LRF
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3NNU
 | | Crystal structure of P38 alpha in complex with DP1376 | | Descriptor: | 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14 | | Authors: | Abendroth, J. | | Deposit date: | 2010-06-24 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
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3NNW
 | | Crystal structure of P38 alpha in complex with DP802 | | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | | Authors: | Abendroth, J. | | Deposit date: | 2010-06-24 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
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3NNX
 | | Crystal structure of phosphorylated P38 alpha in complex with DP802 | | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | | Authors: | Abendroth, J. | | Deposit date: | 2010-06-24 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
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3NNV
 | | Crystal structure of P38 alpha in complex with DP437 | | Descriptor: | 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14 | | Authors: | Abendroth, J. | | Deposit date: | 2010-06-24 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
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7ZYQ
 | | Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13 | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, SODIUM ION, ... | | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | | Deposit date: | 2022-05-25 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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2VMA
 | | 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, IODIDE ION | | 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: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.9 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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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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1KHM
 | | C-TERMINAL KH DOMAIN OF HNRNP K (KH3) | | Descriptor: | PROTEIN (HNRNP K) | | Authors: | Baber, J, Libutti, D, Levens, D, Tjandra, N. | | Deposit date: | 1999-01-07 | | Release date: | 2000-01-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | High precision solution structure of the C-terminal KH domain of heterogeneous nuclear ribonucleoprotein K, a c-myc transcription factor.
J.Mol.Biol., 289, 1999
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3GMT
 | | Crystal structure of adenylate kinase from burkholderia pseudomallei | | Descriptor: | Adenylate kinase, SULFATE ION | | Authors: | Abendroth, J, Staker, B.L, Robinson, H, Buchko, G.W, Hewitt, S.N, Napuli, A.J, Van Voorhis, W, Stacy, R, Myler, P.J, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2009-03-15 | | Release date: | 2009-06-02 | | Last modified: | 2013-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural characterization of Burkholderia pseudomallei adenylate kinase (Adk): profound asymmetry in the crystal structure of the 'open' state.
Biochem.Biophys.Res.Commun., 394, 2010
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1H9U
 | | The structure of the human retinoid-X-receptor beta ligand binding domain in complex with the specific synthetic agonist LG100268 | | Descriptor: | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, CHLORIDE ION, NICKEL (II) ION, ... | | Authors: | Schwabe, J.W.R, Love, J.D, Gooch, J.T. | | Deposit date: | 2001-03-21 | | Release date: | 2002-04-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Structural Basis for the Specificity of Retinoid-X Receptor-Selective Agonists: New Insights Into the Role of Helix H12
J.Biol.Chem., 277, 2002
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1VKC
 | | Putative acetyl transferase from Pyrococcus furiosus | | Descriptor: | IODIDE ION, putative acetyl transferase | | Authors: | Habel, J.E, Liu, Z.-J, Tempel, W, Rose, J.P, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-05-11 | | Release date: | 2004-12-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Putative acetyl transferase from Pyrococcus furiosus
To be published
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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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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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1W97
 | | cyto-EpsL: the cytoplasmic domain of EpsL, an inner membrane component of the type II secretion system of Vibrio cholerae | | Descriptor: | TYPE II SECRETION SYSTEM PROTEIN L | | Authors: | Abendroth, J, Bagdasarian, M, Sansdkvist, M, Hol, W.G.J. | | Deposit date: | 2004-10-06 | | Release date: | 2004-11-30 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Structure of the Cytoplasmic Domain of Epsl, an Inner Membrane Component of the Type II Secretion System of Vibrio Cholerae: An Unusual Member of the Actin-Like ATPase Superfamily
J.Mol.Biol., 344, 2004
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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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3K2E
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7ZYN
 | | Crystal Structure of EGFR-T790M/C797S in Complex with WZ4002 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | Authors: | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | | Deposit date: | 2022-05-25 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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7ZYM
 | | Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib | | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | | Authors: | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | | Deposit date: | 2022-05-25 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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7ZYP
 | | Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | Authors: | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | | Deposit date: | 2022-05-25 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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1HCP
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