6U2S
 
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | Descriptor: | Bi-component leukocidin LukED subunit D, fos-choline-14 | | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | Deposit date: | 2019-08-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
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5IGY
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4QDX
 | | Crystal structure of Antigen 85C-C209G mutant | | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, SULFATE ION | | Authors: | Favrot, L, Lajiness, D.H, Ronning, D.R. | | Deposit date: | 2014-05-14 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
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5EZ9
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3L3N
 | | Testis ACE co-crystal structure with novel inhibitor lisW | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ... | | Authors: | Watermeyer, J.M, Kroger, W.L, O'Neil, H.G, Sewell, B.T, Sturrock, E.D. | | Deposit date: | 2009-12-17 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of domain-selective inhibitor binding in angiotensin-converting enzyme using a novel derivative of lisinopril.
Biochem.J., 428, 2010
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8IFG
 | | Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe | | Descriptor: | Chromatin modification-related protein eaf3, Cph1, Cph2, ... | | Authors: | Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D. | | Deposit date: | 2023-02-17 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Class I histone deacetylase complex: Structure and functional correlates.
Proc Natl Acad Sci U S A, 120, 2023
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6DM9
 | | DHD15_extended | | Descriptor: | DHD15_extended_A, DHD15_extended_B, SULFATE ION | | Authors: | Bick, M.J, Chen, Z, Baker, D. | | Deposit date: | 2018-06-04 | | Release date: | 2018-12-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
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7QOE
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2Y7Q
 | | THE HIGH-AFFINITY COMPLEX BETWEEN IGE AND ITS RECEPTOR FC EPSILON RI | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIGH AFFINITY IMMUNOGLOBULIN EPSILON RECEPTOR SUBUNIT ALPHA, IG EPSILON CHAIN C REGION, ... | | Authors: | Davies, A.M, Holdom, M.D, Nettleship, J.E, Beavil, A.J, Owens, R.J, Sutton, B.J. | | Deposit date: | 2011-02-01 | | Release date: | 2011-04-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Conformational Changes in Ige Contribute to its Uniquely Slow Dissociation Rate from Receptor Fceri
Nat.Struct.Mol.Biol., 18, 2011
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3KM9
 | | Structure of complement C5 in complex with the C-terminal beta-grasp domain of SSL7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | | Authors: | Laursen, N.S, Gordon, N, Hermans, S, Lorenz, N, Jackson, N, Wines, B, Spillner, E, Christensen, J.B, Jensen, M, Fredslund, F, Bjerre, M, Sottrup-Jensen, L, Fraser, J.D, Andersen, G.R. | | Deposit date: | 2009-11-10 | | Release date: | 2009-12-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Structural basis for inhibition of complement C5 by the SSL7 protein from Staphylococcus aureus
Proc.Natl.Acad.Sci.USA, 107, 2010
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4XEK
 | | Pyk2-FAT domain in complex with leupaxin LD4 motif | | Descriptor: | 19-mer peptide containing Leupaxin LD4 motif, Protein-tyrosine kinase 2-beta | | Authors: | Miller, D.J. | | Deposit date: | 2014-12-24 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Structural Basis for the Interaction between Pyk2-FAT Domain and Leupaxin LD Repeats.
Biochemistry, 55, 2016
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4QET
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4XEQ
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID | | Descriptor: | PANTOATE, TRAP dicarboxylate transporter, DctP subunit | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-12-24 | | Release date: | 2015-01-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID
To be published
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6DNJ
 | | Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 28 round 5 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1,2-benzoxazole, Kemp eliminase KE07 | | Authors: | Jackson, C.J, Hong, N.-S, Carr, P.D. | | Deposit date: | 2018-06-06 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
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6UAN
 | | B-Raf:14-3-3 complex | | Descriptor: | 14-3-3 zeta, Serine/threonine-protein kinase B-raf | | Authors: | Kondo, Y, Ognjenovic, J, Banerjee, S, Karandur, D, Merk, A, Kulhanek, K, Wong, K, Roose, J.P, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2019-09-11 | | Release date: | 2019-09-25 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structure of a dimeric B-Raf:14-3-3 complex reveals asymmetry in the active sites of B-Raf kinases.
Science, 366, 2019
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7Q9E
 | | CYP106A1 | | Descriptor: | COBALT (II) ION, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Carius, Y, Hutter, M, Kiss, F, Bernhardt, R, Lancaster, C.R.D. | | Deposit date: | 2021-11-12 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural comparison of the cytochrome P450 enzymes CYP106A1 and CYP106A2 provides insight into their differences in steroid conversion.
Febs Lett., 596, 2022
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4QDO
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4XYN
 | | X-ray structure of Ca(2+)-S100B with human RAGE-derived W61 peptide | | Descriptor: | CALCIUM ION, Protein S100-B, Receptor for advanced glycation endproducts-derived peptide (W61) | | Authors: | Jensen, J.L, Indurthi, V.S.K, Neau, D, Vetter, S.W, Colbert, C.L. | | Deposit date: | 2015-02-02 | | Release date: | 2015-05-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural insights into the binding of the human receptor for advanced glycation end products (RAGE) by S100B, as revealed by an S100B-RAGE-derived peptide complex.
Acta Crystallogr.,Sect.D, 71, 2015
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8DD4
 | | PI 3-kinase alpha with nanobody 3-142 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-06-17 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6HDU
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8I40
 | | Crystal structure of ASCT from Trypanosoma brucei in complex with CoA. | | Descriptor: | ACETATE ION, CALCIUM ION, COENZYME A, ... | | Authors: | Mochizuki, K, Inaoka, D.K, Fukuda, K, Kurasawa, H, Iyoda, K, Nakai, U, Harada, S, Balogun, E.O, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Hirayama, K, Kita, K, Shiba, T. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Crystal structure of ligand complexes of ASCT from Trypanosoma brucei and molecular mechanism in comparison with mammalian SCOT.
To Be Published
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6U4L
 | | cysteine dioxygenase variant - C93E | | Descriptor: | ACETATE ION, Cysteine dioxygenase type 1, FE (III) ION | | Authors: | Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L. | | Deposit date: | 2019-08-26 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.911 Å) | | Cite: | The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase.
Biochemistry, 59, 2020
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1LWE
 | | CRYSTAL STRUCTURE OF M41L/T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMN) IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-31 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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4QHM
 | | I3.1 (unbound) from CH103 Lineage | | Descriptor: | I2 light chain, I3 heavy chain | | Authors: | Fera, D, Harrison, S.C. | | Deposit date: | 2014-05-28 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3L4Z
 | | Crystal complex of N-terminal Human Maltase-Glucoamylase with Salacinol | | Descriptor: | 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sim, L, Rose, D.R. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
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