4RIM
 
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4RIP
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6QYP
 | | Structure of Mcl-1 in complex with compound 13 | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-09 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6QZ5
 | | Structure of Mcl-1 in complex with compound 8a | | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-11 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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4AK2
 | | Structure of BT4661, a SusE-like surface located polysaccharide binding protein from the Bacteroides thetaiotaomicron heparin utilisation locus | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, BT_4661, SODIUM ION | | Authors: | Lowe, E.C, Basle, A, Czjzek, M, Thomas, S, Murray, H, Firbank, S.J, Bolam, D.N. | | Deposit date: | 2012-02-21 | | Release date: | 2013-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | How members of the human gut microbiota overcome the sulfation problem posed by glycosaminoglycans.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3GBN
 | | Crystal Structure of Fab CR6261 in Complex with the 1918 H1N1 influenza virus hemagglutinin | | Descriptor: | 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ekiert, D.C, Elsliger, M.A, Wilson, I.A. | | Deposit date: | 2009-02-20 | | Release date: | 2009-03-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Antibody recognition of a highly conserved influenza virus epitope.
Science, 324, 2009
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1ONQ
 | | Crystal Structure of CD1a in Complex with a Sulfatide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | Authors: | Zajonc, D.M, Elsliger, M.A, Teyton, L, Wilson, I.A. | | Deposit date: | 2003-02-28 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of CD1a in complex with a sulfatide self antigen at a resolution of 2.15 A.
Nat.Immunol., 4, 2003
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474D
 | | A NOVEL END-TO-END BINDING OF TWO NETROPSINS TO THE DNA DECAMER D(CCCCCIIIII)2 | | Descriptor: | DNA (5'-D(*CP*CP*CP*(CBR)P*CP*IP*IP*IP*IP*I)-3'), NETROPSIN | | Authors: | Chen, X, Rao, S.T, Sekar, K, Sundaralingam, M. | | Deposit date: | 1998-01-14 | | Release date: | 1998-12-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel end-to-end binding of two netropsins to the DNA decamers d(CCCCCIIIII)2, d(CCCBr5CCIIIII)2and d(CBr5CCCCIIIII)2.
Nucleic Acids Res., 26, 1998
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6T0O
 | | Crystal structure of YTHDC1 with fragment 14 (ACA_DC1_004) | | Descriptor: | 2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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1HKD
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5VDT
 | | Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cGAMP | | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Byrnes, L.J, Hall, J.D. | | Deposit date: | 2017-04-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.576 Å) | | Cite: | The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
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5UYG
 | | YfeA with metal bound to site 2 - Zn wavelength | | Descriptor: | Periplasmic chelated iron-binding protein YfeA, ZINC ION | | Authors: | Radka, C.D, DeLucas, L.J, Aller, S.G. | | Deposit date: | 2017-02-24 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.859 Å) | | Cite: | Crystal structure of Yersinia pestis virulence factor YfeA reveals two polyspecific metal-binding sites.
Acta Crystallogr D Struct Biol, 73, 2017
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3GBM
 | | Crystal Structure of Fab CR6261 in Complex with a H5N1 influenza virus hemagglutinin. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ekiert, D.C, Elsliger, M.A, Wilson, I.A. | | Deposit date: | 2009-02-20 | | Release date: | 2009-03-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Antibody recognition of a highly conserved influenza virus epitope.
Science, 324, 2009
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4NUF
 | | Crystal Structure of SHP/EID1 | | Descriptor: | EID1 peptide, Maltose ABC transporter periplasmic protein, Nuclear receptor subfamily 0 group B member 2 chimeric construct, ... | | Authors: | Zhi, X, Zhou, X.E, He, Y, Zechner, C, Suino-Powell, K.M, Kliewer, S.A, Melcher, K, Mangelsdorf, D.J, Xu, H.E. | | Deposit date: | 2013-12-03 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into gene repression by the orphan nuclear receptor SHP.
Proc.Natl.Acad.Sci.USA, 111, 2014
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414D
 | | 5'-D(*GP*GP*GP*GP*CP*GP*CP*CP*CP*C)-3' | | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*CP*GP*CP*CP*CP*C)-3') | | Authors: | Savitha, G, Viswamitra, M.A. | | Deposit date: | 1998-07-13 | | Release date: | 1999-06-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An A-DNA structure with two independent duplexes in the asymmetric unit.
Acta Crystallogr.,Sect.D, 55, 1999
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1LCS
 | | RECEPTOR-BINDING DOMAIN FROM SUBGROUP B FELINE LEUKEMIA VIRUS | | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-beta-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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Barnett, A.L, Wensel, D.L, Li, W, Fass, D, Cunningham, J.M. | | Deposit date: | 2002-04-06 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Mechanism of a Coreceptor for Infection by a pathogenic feline retrovirus
J.Virol., 77, 2003
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5UYW
 | | YfeA ancillary sites that co-load with site 2 | | Descriptor: | Periplasmic chelated iron-binding protein YfeA, ZINC ION | | Authors: | Radka, C.D, DeLucas, L.J, Aller, S.G. | | Deposit date: | 2017-02-24 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Crystal structure of Yersinia pestis virulence factor YfeA reveals two polyspecific metal-binding sites.
Acta Crystallogr D Struct Biol, 73, 2017
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4NED
 | | Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Gautam, L, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-10-29 | | Release date: | 2013-12-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION
To be Published
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2XSB
 | | OgOGA PUGNAc complex | | Descriptor: | 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHLORIDE ION, HYALURONOGLUCOSAMINIDASE | | Authors: | Schuttelkopf, A.W, van Aalten, D.M.F. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
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3NXQ
 | | Angiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389) in complex with RXP407 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ... | | Authors: | Anthony, C.S, Corradi, H.R, Schwager, S.L.U, Redelinghuys, P, Georgiadis, D, Dive, V, Acharya, K.R, Sturrock, E.D. | | Deposit date: | 2010-07-14 | | Release date: | 2010-09-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The N domain of human angiotensin-I-converting enzyme: the role of N-glycosylation and the crystal structure in complex with an N domain-specific phosphinic inhibitor, RXP407.
J.Biol.Chem., 285, 2010
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2V3G
 | | Structure of a family 26 lichenase in complex with noeuromycin | | Descriptor: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, ENDOGLUCANASE H, beta-D-glucopyranose | | Authors: | Meloncelli, P.J, Gloster, T.M, Money, V.A, Tarling, C.A, Davies, G.J, Withers, S.G, Stick, R.V. | | Deposit date: | 2007-06-18 | | Release date: | 2007-09-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | D-Glucosylated Derivatives of Isofagomine and Noeuromycin and Their Potential as Inhibitors of Beta-Glycoside Hydrolases
To be Published
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4GXU
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1FQ7
 | | X-RAY STRUCTURE OF INHIBITOR CP-72,647 BOUND TO SACCHAROPEPSIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-L-histidinamide, SACCHAROPEPSIN, ... | | Authors: | Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B. | | Deposit date: | 2000-09-04 | | Release date: | 2000-09-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
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6BZ9
 | | Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK | | Descriptor: | Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER | | Authors: | Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R. | | Deposit date: | 2017-12-22 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4DIG
 | | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with N-acetylmuramyl l-alanyl d-isoglutamine at 1.8 A Resolution | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-01-31 | | Release date: | 2012-02-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with N-acetylmuramyl l-alanyl d-isoglutamine at 1.8 A Resolution
To be Published
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