6BR3
 
 | | Structure of RORgt in complex with a novel inverse agonist TAK-828. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma, {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2017-11-29 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
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6BRG
 | | The SAM domain of mouse SAMHD1 is critical for its activation and regulation | | Descriptor: | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION | | Authors: | Buzovetsky, O, Tang, C, Knecht, K.M, Antonucci, J.M, Wu, L, Ji, X, Xiong, Y. | | Deposit date: | 2017-11-30 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The SAM domain of mouse SAMHD1 is critical for its activation and regulation.
Nat Commun, 9, 2018
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3INA
 | | Crystal structure of heparin lyase I H151A mutant complexed with a dodecasaccharide heparin | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-3,6-di-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-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, CALCIUM ION, Heparin lyase I | | Authors: | Han, Y.H, Ryu, K.S, Kim, H.Y, Jeon, Y.H. | | Deposit date: | 2009-08-12 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural snapshots of heparin depolymerization by heparin lyase I
J.Biol.Chem., 284, 2009
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3I2D
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3V2P
 | | COMPcc in complex with fatty acids | | Descriptor: | Cartilage Oligomerization matrix protein (coiled-coil domain), STEARIC ACID | | Authors: | Stetefeld, J. | | Deposit date: | 2011-12-12 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.873 Å) | | Cite: | The pentameric channel of COMPcc in complex with different fatty acids.
Plos One, 7, 2012
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3TII
 | | Tubulin tyrosine ligase | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ttl protein | | Authors: | Roll-Mecak, A, Szyk, A, Deaconescu, A, Piszczek, G. | | Deposit date: | 2011-08-20 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tubulin tyrosine ligase structure reveals adaptation of an ancient fold to bind and modify tubulin.
Nat.Struct.Mol.Biol., 18, 2011
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1N5O
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1MZ8
 | | CRYSTAL STRUCTURES OF THE NUCLEASE DOMAIN OF COLE7/IM7 IN COMPLEX WITH A PHOSPHATE ION AND A ZINC ION | | Descriptor: | Colicin E7, Colicin E7 immunity protein, PHOSPHATE ION, ... | | Authors: | Sui, M.J, Tsai, L.C, Hsia, K.C, Doudeva, L.G, Ku, W.Y, Han, G.W, Yuan, H.S. | | Deposit date: | 2002-10-07 | | Release date: | 2002-12-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Metal ions and phosphate binding in the H-N-H motif: crystal structures of the nuclease domain of ColE7/Im7 in complex with a phosphate ion and different divalent metal ions
PROTEIN SCI., 11, 2002
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3FJ9
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3U6U
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3W1S
 | | Crystal structure of Saccharomyces cerevisiae Atg12-Atg5 conjugate bound to the N-terminal domain of Atg16 | | Descriptor: | Autophagy protein 16, Autophagy protein 5, Ubiquitin-like protein ATG12 | | Authors: | Noda, N.N, Fujioka, Y, Hanada, T, Ohsumi, Y, Inagaki, F. | | Deposit date: | 2012-11-20 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the Atg12-Atg5 conjugate reveals a platform for stimulating Atg8-PE conjugation
Embo Rep., 14, 2013
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6B31
 | | Structure of RORgt in complex with a novel inverse agonist 2 | | Descriptor: | (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide, Nuclear receptor ROR-gamma | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2017-09-20 | | Release date: | 2018-08-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Identification of novel quinazolinedione derivatives as ROR gamma t inverse agonist.
Bioorg. Med. Chem., 26, 2018
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3F1J
 | | Crystal structure of the Borna disease virus matrix protein (BDV-M) reveals RNA binding properties | | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Matrix protein, SULFATE ION | | Authors: | Neumann, P, Lieber, D, Meyer, S, Dautel, P, Kerth, A, Kraus, I, Garten, W, Stubbs, M.T. | | Deposit date: | 2008-10-28 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of the Borna disease virus matrix protein (BDV-M) reveals ssRNA binding properties
Proc.Natl.Acad.Sci.USA, 106, 2009
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3VH1
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6CVH
 | | Identification and biological evaluation of thiazole-based inverse agonists of RORgt | | Descriptor: | Nuclear receptor ROR-gamma, trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid | | Authors: | Spurlino, J, Milligan, C. | | Deposit date: | 2018-03-28 | | Release date: | 2018-04-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Identification and biological evaluation of thiazole-based inverse agonists of ROR gamma t.
Bioorg. Med. Chem. Lett., 28, 2018
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3VH2
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3VX6
 | | Crystal structure of Kluyveromyces marxianus Atg7NTD | | Descriptor: | E1 | | Authors: | Yamaguchi, M, Matoba, K, Sawada, R, Fujioka, Y, Nakatogawa, H, Yamamoto, H, Kobashigawa, Y, Hoshida, H, Akada, R, Ohsumi, Y, Noda, N.N, Inagaki, F. | | Deposit date: | 2012-09-11 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Noncanonical recognition and UBL loading of distinct E2s by autophagy-essential Atg7.
Nat.Struct.Mol.Biol., 19, 2012
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3VXW
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3VQI
 | | Crystal structure of Kluyveromyces marxianus Atg5 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Atg5, SULFATE ION | | Authors: | Yamaguchi, M, Noda, N.N, Yamamoto, H, Shima, T, Kumeta, H, Kobashigawa, Y, Akada, R, Ohsumi, Y, Inagaki, F. | | Deposit date: | 2012-03-24 | | Release date: | 2012-08-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into atg10-mediated formation of the autophagy-essential atg12-atg5 conjugate
Structure, 20, 2012
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3II4
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3TIG
 | | Tubulin tyrosine ligase | | Descriptor: | MAGNESIUM ION, Ttl protein | | Authors: | Roll-Mecak, A, Szyk, A, Deaconescu, A, Piszczek, G. | | Deposit date: | 2011-08-20 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tubulin tyrosine ligase structure reveals adaptation of an ancient fold to bind and modify tubulin.
Nat.Struct.Mol.Biol., 18, 2011
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6CBD
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4PKK
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3FKB
 | | Structure of NDPK H122G and tenofovir-diphosphate | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Morera, S, Chen, Y.X. | | Deposit date: | 2008-12-16 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Nucleoside diphosphate kinase and the activation of antiviral phosphonate analogs of nucleotides: binding mode and phosphorylation of tenofovir derivatives
Nucleosides Nucleotides Nucleic Acids, 28, 2009
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3F11
 | | Structure of futa1 with iron(III) | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Iron transport protein, ... | | Authors: | Koropatkin, N.M, Randich, A.M, Bhattachryya-Pakrasi, M, Pakrasi, H.B, Smith, T.J. | | Deposit date: | 2008-10-27 | | Release date: | 2008-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of the iron-binding protein, FutA1, from Synechocystis 6803
J.Biol.Chem., 282, 2007
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