4X0O
 
 | | Beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae soaked with Acetyl-CoA | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, COENZYME A, MALONATE ION, ... | | Authors: | Hou, J, Chruszcz, M, Zheng, H, Cooper, D.R, Chordia, M.D, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-11-21 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
to be published
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3W28
 | | The high-resolution crystal structure of TsXylA, intracellular xylanase from /Thermoanaerobacterium saccharolyticum JW/SL-YS485/: the complex of the E251A mutant with xylotriose | | Descriptor: | Glycoside hydrolase family 10, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose | | Authors: | Han, X, Gao, J, Shang, N, Huang, C.-H, Ko, T.-P, Zhu, Z, Wiegel, J, Shao, W, Guo, R.-T. | | Deposit date: | 2012-11-27 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
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4UXL
 | | Structure of Human ROS1 Kinase Domain in Complex with PF-06463922 | | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | Deposit date: | 2014-08-25 | | Release date: | 2015-03-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6O5M
 | | Tubulin-RB3_SLD-TTL in complex with compound 10bb | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-03-04 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
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4W2R
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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6G2S
 | | Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside | | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin | | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | | Deposit date: | 2018-03-23 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
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1J0X
 | | Crystal structure of the rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH) | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Cowan-Jacob, S.W, Kaufmann, M, Anselmo, A.N, Stark, W, Grutter, M.G. | | Deposit date: | 2002-11-25 | | Release date: | 2003-12-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of rabbit-muscle glyceraldehyde-3-phosphate dehydrogenase.
Acta Crystallogr.,Sect.D, 59, 2003
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6G2R
 | | Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | | Deposit date: | 2018-03-23 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
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6G5S
 | | Solution structure of the TPR domain of the cell division coordinator, CpoB | | Descriptor: | Cell division coordinator CpoB | | Authors: | Simorre, J.P, Maya Martinez, R.C, Bougault, C, Vollmer, W, Egan, A. | | Deposit date: | 2018-03-29 | | Release date: | 2018-08-08 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
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6FZK
 | | NMR structure of UB2H, regulatory domain of PBP1b from E. coli | | Descriptor: | Penicillin-binding protein 1B | | Authors: | Simorre, J.P, Maya Martinez, R.C, Bougault, C, Egan, A.J.F, Vollmer, W. | | Deposit date: | 2018-03-15 | | Release date: | 2019-02-20 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
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1ITF
 | | INTERFERON ALPHA-2A, NMR, 24 STRUCTURES | | Descriptor: | INTERFERON ALPHA-2A | | Authors: | Klaus, W, Gsell, B, Labhardt, A.M, Wipf, B, Senn, H. | | Deposit date: | 1997-08-22 | | Release date: | 1997-12-03 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The three-dimensional high resolution structure of human interferon alpha-2a determined by heteronuclear NMR spectroscopy in solution.
J.Mol.Biol., 274, 1997
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1INJ
 | | CRYSTAL STRUCTURE OF THE APO FORM OF 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL (CDP-ME) SYNTHETASE (YGBP) INVOLVED IN MEVALONATE INDEPENDENT ISOPRENOID BIOSYNTHESIS | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL SYNTHETASE, CALCIUM ION | | Authors: | Richard, S.B, Bowman, M.E, Kwiatkowski, W, Kang, I, Chow, C, Lillo, A, Cane, D.E, Noel, J.P. | | Deposit date: | 2001-05-14 | | Release date: | 2001-07-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of 4-diphosphocytidyl-2-C- methylerythritol synthetase involved in mevalonate- independent isoprenoid biosynthesis.
Nat.Struct.Biol., 8, 2001
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1J8E
 | | Crystal structure of ligand-binding repeat CR7 from LRP | | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR-RELATED PROTEIN 1 | | Authors: | Simonovic, M, Dolmer, K, Huang, W, Strickland, D.K, Volz, K, Gettins, P.G.W. | | Deposit date: | 2001-05-21 | | Release date: | 2001-12-19 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Calcium coordination and pH dependence of the calcium affinity of ligand-binding repeat CR7 from the LRP. Comparison with related domains from the LRP and the LDL receptor.
Biochemistry, 40, 2001
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1IHC
 | | X-ray Structure of Gephyrin N-terminal Domain | | Descriptor: | Gephyrin | | Authors: | Sola, M, Kneussel, M, Heck, I.S, Betz, H, Weissenhorn, W. | | Deposit date: | 2001-04-21 | | Release date: | 2001-05-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray crystal structure of the trimeric N-terminal domain of gephyrin.
J.Biol.Chem., 276, 2001
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1IYG
 | | Solution structure of RSGI RUH-001, a Fis1p-like and CGI-135 homologous domain from a mouse cDNA | | Descriptor: | Hypothetical protein (2010003O14) | | Authors: | Ohashi, W, Hirota, H, Yamazaki, T, Koshiba, S, Hamada, T, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-08-14 | | Release date: | 2003-02-14 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of RSGI RUH-001, a Fis1p-like and CGI-135 homologous domain from a mouse cDNA
To be Published
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1J0N
 | | Crystal Structure of Bacillus sp. GL1 Xanthan Lyase that Acts on Side Chains of Xanthan | | Descriptor: | 4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose, CALCIUM ION, XANTHAN LYASE | | Authors: | Hashimoto, W, Nankai, H, Mikami, B, Murata, K. | | Deposit date: | 2002-11-19 | | Release date: | 2003-04-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Bacillus sp. GL1 Xanthan Lyase, Which Acts on the Side Chains of Xanthan.
J.Biol.Chem., 278, 2003
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1J85
 | | Structure of YibK from Haemophilus influenzae (HI0766), a truncated sequence homolog of tRNA (guanosine-2'-O-) methyltransferase (SpoU) | | Descriptor: | YibK | | Authors: | Lim, K, Zhang, H, Toedt, J, Tempcyzk, A, Krajewski, W, Howard, A, Eisenstein, E, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2001-05-20 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the YibK methyltransferase from Haemophilus influenzae
(HI0766): A cofactor bound at a site formed by a knot
Proteins, 51, 2003
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1IH8
 | | NH3-dependent NAD+ Synthetase from Bacillus subtilis Complexed with AMP-CPP and Mg2+ ions. | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) synthetase | | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Jedrzejas, M, Brouillette, C, Brouillette, W, Muccio, D, Chattopadhyay, D, DeLucas, L. | | Deposit date: | 2001-04-18 | | Release date: | 2001-06-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
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6GMS
 | | Solution NMR structure of the major type IV pilin PpdD from enterohemorrhagic Escherichia coli (EHEC) | | Descriptor: | Prepilin peptidase-dependent protein D | | Authors: | Amorim, G.C, Bardiaux, B, Luna-Rico, A, Zeng, W, Guilvout, I, Egelman, E, Nilges, M, Francetic, O, Izadi-Pruneyre, N. | | Deposit date: | 2018-05-28 | | Release date: | 2019-05-15 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure and Assembly of the Enterohemorrhagic Escherichia coli Type 4 Pilus.
Structure, 27, 2019
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1J0M
 | | Crystal Structure of Bacillus sp. GL1 Xanthan Lyase that Acts on Side Chains of Xanthan | | Descriptor: | CALCIUM ION, XANTHAN LYASE | | Authors: | Hashimoto, W, Nankai, H, Mikami, B, Murata, K. | | Deposit date: | 2002-11-19 | | Release date: | 2003-04-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Bacillus sp. GL1 Xanthan Lyase, Which Acts on the Side Chains of Xanthan.
J.Biol.Chem., 278, 2003
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1J73
 | | Crystal structure of an unstable insulin analog with native activity. | | Descriptor: | ZINC ION, insulin a, insulin b | | Authors: | Wan, Z, Zhao, M, Nakagawa, S, Jia, W, Weiss, M.A. | | Deposit date: | 2001-05-15 | | Release date: | 2001-05-30 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
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1IFX
 | | CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH TWO MOLECULES DEAMIDO-NAD | | Descriptor: | NH(3)-DEPENDENT NAD(+) SYNTHETASE, NICOTINIC ACID ADENINE DINUCLEOTIDE | | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Brouillette, W, Muccio, D, Jedrzejas, M, Brouillette, C, DeLucas, L. | | Deposit date: | 2001-04-13 | | Release date: | 2001-06-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
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1J74
 | | Crystal Structure of Mms2 | | Descriptor: | MMS2 | | Authors: | Moraes, T.F, Edwards, R.A, McKenna, S, Pastushok, L, Xiao, W, Glover, J.N.M, Ellison, M.J. | | Deposit date: | 2001-05-15 | | Release date: | 2001-08-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the human ubiquitin conjugating enzyme complex, hMms2-hUbc13.
Nat.Struct.Biol., 8, 2001
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7M8E
 | | E.coli RNAP-RapA elongation complex | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Shi, W, Liu, B. | | Deposit date: | 2021-03-29 | | Release date: | 2021-08-18 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for activation of Swi2/Snf2 ATPase RapA by RNA polymerase.
Nucleic Acids Res., 49, 2021
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1J7D
 | | Crystal Structure of hMms2-hUbc13 | | Descriptor: | MMS2, UBIQUITIN-CONJUGATING ENZYME E2-17 KDA | | Authors: | Moraes, T.F, Edwards, R.A, McKenna, S, Pashushok, L, Xiao, W, Glover, J.N.M, Ellison, M.J. | | Deposit date: | 2001-05-16 | | Release date: | 2001-08-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of the human ubiquitin conjugating enzyme complex, hMms2-hUbc13.
Nat.Struct.Biol., 8, 2001
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