6RTY
 
 | | Crystal structure of the Patched ectodomain in complex with nanobody NB64 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Llama-derived nanobody NB64, Protein patched homolog 1 | | Authors: | Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | | Deposit date: | 2019-05-27 | | Release date: | 2019-10-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
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2V8X
 | | Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives | | Descriptor: | 7-BENZYL GUANINE MONOPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1 | | Authors: | Brown, C.J, Mcnae, I, Fischer, P.M, Walkinshaw, M.D. | | Deposit date: | 2007-08-16 | | Release date: | 2007-08-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives.
J.Mol.Biol., 372, 2007
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6RUF
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7OC6
 | | Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii | | Descriptor: | Alpha-humulene synthase asR6, GLYCEROL, SULFATE ION, ... | | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | | Deposit date: | 2021-04-26 | | Release date: | 2021-07-07 | | Last modified: | 2021-09-15 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5TX6
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4RFM
 | | ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | | Descriptor: | (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | | Deposit date: | 2014-09-26 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo.
J.Med.Chem., 58, 2015
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1G5A
 | | AMYLOSUCRASE FROM NEISSERIA POLYSACCHAREA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMYLOSUCRASE, ... | | Authors: | Skov, L.K, Mirza, O, Henriksen, A, De Montalk, G.P, Remaud-Simeon, M, Sarcabal, P, Willemot, R.-M, Monsan, P, Gajhede, M. | | Deposit date: | 2000-10-31 | | Release date: | 2001-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Amylosucrase, A Glucan-synthesizing Enzyme from the alpha-Amylase Family
J.Biol.Chem., 276, 2001
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2O9O
 | | Crystal Structure of the buffalo Secretory Signalling Glycoprotein at 2.8 A resolution | | Descriptor: | Chitinase-3-like protein 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Ethayathulla, A.S, Srivastava, D.B, Kumar, J, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2006-12-14 | | Release date: | 2007-01-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the buffalo secretory signalling glycoprotein at 2.8 A resolution
Acta Crystallogr.,Sect.F, 63, 2007
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1G6I
 | | Crystal structure of the yeast alpha-1,2-mannosidase with bound 1-deoxymannojirimycin at 1.59 A resolution | | Descriptor: | 1-DEOXYMANNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Herscovics, A, Lipari, F, Sleno, B, Romera, P.A, Vallee, F, Yip, P, Howell, P.A. | | Deposit date: | 2000-11-06 | | Release date: | 2003-06-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure and function of Class I a1,2-mannosidases involved
in glycoprotein biosynthesis.
CARBOHYDRATE BIOENGINEERING. INTERDISCIPLINARY APPROACHES., 2002
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1XBP
 | | Inhibition of peptide bond formation by pleuromutilins: The structure of the 50S ribosomal subunit from Deinococcus radiodurans in complex with Tiamulin | | Descriptor: | 23S RIBOSOMAL RNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ... | | Authors: | Schluenzen, F, Pyetan, E, Fucini, P, Yonath, A, Harms, J.M. | | Deposit date: | 2004-08-31 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Inhibition of peptide bond formation by pleuromutilins: the structure of the 50S ribosomal subunit from Deinococcus radiodurans in complex with tiamulin.
Mol.Microbiol., 54, 2004
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4H6B
 | | Structural basis for allene oxide cyclization in moss | | Descriptor: | (9Z)-11-{(2R,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid, (9Z)-11-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid, Allene oxide cyclase, ... | | Authors: | Neumann, P, Ficner, R. | | Deposit date: | 2012-09-19 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity.
Plant Physiol., 160, 2012
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4ARB
 | | Mus musculus Acetylcholinesterase in complex with (S)-C5685 at 2.25 A resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ACETYLCHOLINESTERASE, ... | | Authors: | Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A. | | Deposit date: | 2012-04-23 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
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5U0S
 | | Cryo-EM structure of the Mediator-RNAPII complex | | Descriptor: | Mediator complex subunit 10, Mediator complex subunit 11, Mediator complex subunit 14, ... | | Authors: | Tsai, K.-L, Yu, X, Gopalan, S, Chao, T.-C, Zhang, Y, Florens, L, Washburn, M.P, Murakami, K, Conaway, R.C, Conaway, J.W, Asturias, F. | | Deposit date: | 2016-11-26 | | Release date: | 2017-03-08 | | Last modified: | 2020-01-01 | | Method: | ELECTRON MICROSCOPY (7.8 Å) | | Cite: | Mediator structure and rearrangements required for holoenzyme formation.
Nature, 544, 2017
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4AHC
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4MOT
 | | Structure of Streptococcus pneumonia pare in complex with AZ13072886 | | Descriptor: | 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B | | Authors: | Ogg, D, Boriack-Sjodin, P.A. | | Deposit date: | 2013-09-12 | | Release date: | 2013-11-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014
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2OGS
 | | Crystal Structure of the GEOBACILLUS STEAROTHERMOPHILUS Carboxylesterase EST55 at pH 6.2 | | Descriptor: | IODIDE ION, Thermostable carboxylesterase Est50 | | Authors: | Liu, P, Ewis, H.E, Tai, P.C, Lu, C.D, Weber, I.T. | | Deposit date: | 2007-01-08 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est55 and Its Activation of Prodrug CPT-11.
J.Mol.Biol., 367, 2007
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2V24
 | | Structure of the human SPRY domain-containing SOCS box protein SSB-4 | | Descriptor: | NICKEL (II) ION, SPRY DOMAIN-CONTAINING SOCS BOX PROTEIN 4 | | Authors: | Uppenberg, J, Bullock, A, Keates, T, Savitsky, P, Pike, A.C.W, Ugochukwu, E, Bunkoczi, G, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S. | | Deposit date: | 2007-05-31 | | Release date: | 2007-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Par-4 Recognition by the Spry Domain-and Socs Box-Containing Proteins Spsb1, Spsb2, and Spsb4.
J.Mol.Biol., 401, 2010
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5AG7
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINE LIGAND | | Descriptor: | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate | | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2015-01-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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8GW0
 | | Crystal structure of the human dihydroorotase domain in complex with malic acid | | Descriptor: | (2S)-2-hydroxybutanedioic acid, CAD protein, ZINC ION | | Authors: | Yang, P.C, Liu, H.W, Huang, H.Y, Huang, C.Y. | | Deposit date: | 2022-09-16 | | Release date: | 2023-09-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Complexed Crystal Structure of the Dihydroorotase Domain of Human CAD Protein with the Anticancer Drug 5-Fluorouracil.
Biomolecules, 13, 2023
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4EPI
 | | The crystal structure of pesticin-T4 lysozyme hybrid stabilized by engineered disulfide bonds | | Descriptor: | Pesticin, Lysozyme Chimera, SODIUM ION, ... | | Authors: | Seddiki, N, Fairman, J.W, Noinaj, N, Lukacik, P, Barnard, T, Buchanan, S.K. | | Deposit date: | 2012-04-17 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural engineering of a phage lysin that targets Gram-negative pathogens.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7O9O
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1Q4V
 | | CRYSTAL STRUCTURE OF ALLO-ILEA2-INSULIN, AN INACTIVE CHIRAL ANALOGUE: IMPLICATIONS FOR THE MECHANISM OF RECEPTOR | | Descriptor: | Insulin, PHENOL, ZINC ION | | Authors: | Wan, Z.L, Xu, B, Chu, Y.C, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2003-08-04 | | Release date: | 2003-08-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of allo-Ile(A2)-insulin, an inactive chiral analogue: implications for the
mechanism of receptor binding.
Biochemistry, 42, 2003
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6S7K
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-methylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-07-05 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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4QXQ
 | | Crystal structure of hSTING(S162A/Q266I) in complex with DMXAA | | Descriptor: | (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, SULFATE ION, Stimulator of interferon genes protein | | Authors: | Gao, P, Patel, D.J. | | Deposit date: | 2014-07-21 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Binding-Pocket and Lid-Region Substitutions Render Human STING Sensitive to the Species-Specific Drug DMXAA.
Cell Rep, 8, 2014
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6S43
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azocan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-06-26 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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