6BNS
 
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES | | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera | | Authors: | DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H. | | Deposit date: | 2017-11-17 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
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2Q2A
 | | Crystal structures of the arginine-, lysine-, histidine-binding protein ArtJ from the thermophilic bacterium Geobacillus stearothermophilus | | Descriptor: | ARGININE, ArtJ, SULFATE ION | | Authors: | Vahedi-Faridi, A, Scheffel, F, Eckey, V, Saenger, W, Schneider, E. | | Deposit date: | 2007-05-26 | | Release date: | 2008-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structures and mutational analysis of the arginine-, lysine-, histidine-binding protein ArtJ from Geobacillus stearothermophilus. Implications for interactions of ArtJ with its cognate ATP-binding cassette transporter, Art(MP)2
J.Mol.Biol., 375, 2008
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5HP8
 | | Crystal structures of RidA in complex with pyruvate | | Descriptor: | PYRUVIC ACID, Reactive Intermediate Deaminase A, chloroplastic | | Authors: | Xie, W, Liu, X. | | Deposit date: | 2016-01-20 | | Release date: | 2016-10-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of RidA, an important enzyme for the prevention of toxic side products
Sci Rep, 6, 2016
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3K58
 | | Crystal structure of E.coli Pol II-normal DNA-dTTP ternary complex | | Descriptor: | DNA (5'-D(*GP*TP*GP*CP*CP*TP*AP*GP*CP*GP*TP*AP*(DOC))-3'), DNA (5'-D(*TP*AP*AP*GP*TP*AP*CP*GP*CP*TP*AP*GP*GP*CP*AP*CP*A)-3'), DNA polymerase II, ... | | Authors: | Yang, W, Wang, F. | | Deposit date: | 2009-10-06 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural insight into translesion synthesis by DNA Pol II
Cell(Cambridge,Mass.), 139, 2009
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3K5L
 | | Crystal structure of E.coli Pol II-abasic DNA-dATP Lt(0, 3) ternary complex | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*GP*TP*GP*CP*CP*TP*AP*GP*CP*GP*TP*AP*(DOC))-3'), DNA (5'-D(*TP*AP*TP*(3DR)P*GP*TP*AP*CP*GP*CP*TP*AP*GP*GP*CP*AP*CP*A)-3'), ... | | Authors: | Yang, W, Wang, F. | | Deposit date: | 2009-10-07 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insight into translesion synthesis by DNA Pol II.
Cell(Cambridge,Mass.), 139, 2009
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2PFS
 | | Crystal structure of universal stress protein from Nitrosomonas europaea | | Descriptor: | CHLORIDE ION, Universal stress protein | | Authors: | Chruszcz, M, Evdokimova, E, Cymborowski, M, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-04-05 | | Release date: | 2007-05-08 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and functional insight into the universal stress protein family.
Evol Appl, 6, 2013
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6BS2
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b | | Descriptor: | 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-12-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
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5HSZ
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2PSX
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2PT7
 | | Crystal structure of Cag VirB11 (HP0525) and an inhibitory protein (HP1451) | | Descriptor: | Cag-alfa, Hypothetical protein | | Authors: | Hare, S, Fischer, W, Williams, R, Terradot, L, Bayliss, R, Haas, R, Waksman, G. | | Deposit date: | 2007-05-08 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification, structure and mode of action of a new regulator of the Helicobacter pylori HP0525 ATPase.
Embo J., 26, 2007
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5HTY
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3SGQ
 | | GLN 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7 | | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18,
Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pH's
To be Published
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1NU0
 | | Structure of the double mutant (L6M; F134M, SeMet form) of yqgF from Escherichia coli, a hypothetical protein | | Descriptor: | Hypothetical protein yqgF, SULFATE ION | | Authors: | Galkin, A, Sarikaya, E, Krajewski, W, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2003-01-30 | | Release date: | 2004-03-02 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of yqgF from Escherichia coli, a hypothetical protein
To be Published
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3K19
 | | OmpF porin | | Descriptor: | Outer membrane protein F | | Authors: | Kefala, G, Ahn, C, Krupa, M, Maslennikov, I, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2009-09-26 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | Structures of the OmpF porin crystallized in the presence of foscholine-12.
Protein Sci., 19, 2010
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1DQT
 | | THE CRYSTAL STRUCTURE OF MURINE CTLA4 (CD152) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CYTOTOXIC T LYMPHOCYTE ASSOCIATED ANTIGEN 4 | | Authors: | Ostrov, D.A, Shi, W, Schwartz, J.C, Almo, S.C, Nathenson, S.G. | | Deposit date: | 2000-01-05 | | Release date: | 2000-10-27 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of murine CTLA-4 and its role in modulating T cell responsiveness.
Science, 290, 2000
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1NY1
 | | CRYSTAL STRUCTURE OF B. SUBTILIS POLYSACCHARIDE DEACETYLASE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR127. | | Descriptor: | Probable polysaccharide deacetylase pdaA | | Authors: | Forouhar, F, Edstrom, W, Khan, J, Ma, L, Chiang, Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-02-11 | | Release date: | 2003-03-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Polysaccharide Deacetylase (PDAA_BACSU) from B. Subtilis (Pdaa_Bacsu) Northeast Structural Genomics Research Consortium (Nesg) Target Sr127
To be Published
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7VI6
 | | Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila | | Descriptor: | Beta-N-acetylhexosaminidase, CHLORIDE ION, MAGNESIUM ION | | Authors: | Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M. | | Deposit date: | 2021-09-26 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
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3O9X
 | | Structure of the E. coli antitoxin MqsA (YgiT/b3021) in complex with its gene promoter | | Descriptor: | DNA (26-MER), GLYCEROL, Uncharacterized HTH-type transcriptional regulator ygiT, ... | | Authors: | Brown, B.L, Peti, W, Page, R. | | Deposit date: | 2010-08-04 | | Release date: | 2010-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.0999 Å) | | Cite: | Structure of the Escherichia coli Antitoxin MqsA (YgiT/b3021) Bound to Its Gene Promoter Reveals Extensive Domain Rearrangements and the Specificity of Transcriptional Regulation.
J.Biol.Chem., 286, 2011
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7VI7
 | | Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila in complex with GlcNAc | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | | Authors: | Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M. | | Deposit date: | 2021-09-26 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
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1E4X
 | | crossreactive binding of a circularized peptide to an anti-TGFalpha antibody Fab-fragment | | Descriptor: | CYCLIC PEPTIDE, TAB2 | | Authors: | Hahn, M, Winkler, D, Misselwitz, R, Wessner, H, Welfle, K, Zahn, G, Schneider-Mergener, J, Hoehne, W. | | Deposit date: | 2000-07-12 | | Release date: | 2001-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cross-Reactive Binding of Cyclic Peptides to an Anti-Tgf Alpha Antibody Fab Fragment: An X-Ray Structural and Thermodynamic Analysis
J.Mol.Biol., 314, 2001
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3NWN
 | | Crystal structure of the human KIF9 motor domain in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF9, ... | | Authors: | Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-07-09 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the human KIF9 motor domain in complex with ADP
To be Published
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2Q0S
 | | Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase | | Descriptor: | Aryl esterase, SULFATE ION | | Authors: | Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. | | Deposit date: | 2007-05-22 | | Release date: | 2007-12-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
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3JAE
 | | Structure of alpha-1 glycine receptor by single particle electron cryo-microscopy, glycine-bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1 | | Authors: | Du, J, Lu, W, Wu, S.P, Cheng, Y.F, Gouaux, E. | | Deposit date: | 2015-06-08 | | Release date: | 2015-09-09 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Glycine receptor mechanism elucidated by electron cryo-microscopy.
Nature, 526, 2015
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6BLP
 | | Pol II elongation complex with an abasic lesion at i+1 position, soaking AMPCPP | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA (5'-D(P*AP*(3DR)P*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, W, Wang, D. | | Deposit date: | 2017-11-11 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.203 Å) | | Cite: | Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3OE0
 | | Crystal structure of the CXCR4 chemokine receptor in complex with a cyclic peptide antagonist CVX15 | | Descriptor: | C-X-C chemokine receptor type 4, Lysozyme Chimera, Polyphemusin analog, ... | | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-08-12 | | Release date: | 2010-10-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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