4MDT
 
 | | Structure of LpxC bound to the reaction product UDP-(3-O-(R-3-hydroxymyristoyl))-glucosamine | | Descriptor: | PHOSPHATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, ... | | Authors: | Clayton, G.M, Klein, D.J, Rickert, K.W, Patel, S.B, Kornienko, M, Zugay-Murphy, J, Reid, J.C, Tummala, S, Sharma, S, Singh, S.B, Miesel, L, Lumb, K.J, Soisson, S.M. | | Deposit date: | 2013-08-23 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structure of the Bacterial Deacetylase LpxC Bound to the Nucleotide Reaction Product Reveals Mechanisms of Oxyanion Stabilization and Proton Transfer.
J.Biol.Chem., 288, 2013
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4MEL
 | | Crystal Structure of the human USP11 DUSP-UBL domains | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 11 | | Authors: | Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I. | | Deposit date: | 2013-08-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.899 Å) | | Cite: | Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
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3F73
 | | Alignment of guide-target seed duplex within an argonaute silencing complex | | Descriptor: | ARGONAUTE, DNA (5'-D(P*DTP*DGP*DAP*DGP*DGP*DTP*DAP*DGP*DTP*DAP*DGP*DGP*DTP*DTP*DGP*DTP*DA*DTP*DAP*DGP*DT)-3'), MAGNESIUM ION, ... | | Authors: | Wang, Y, Li, H, Sheng, G, Juranek, S, Tuschl, T, Patel, D.J. | | Deposit date: | 2008-11-07 | | Release date: | 2008-12-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of an argonaute silencing complex with a seed-containing guide DNA and target RNA duplex.
Nature, 456, 2008
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6U66
 | | Structure of the trimeric globular domain of Adiponectin | | Descriptor: | Adiponectin, CALCIUM ION, SODIUM ION | | Authors: | Pascolutti, R, Kruse, A.C, Erlandson, S.C, Burri, D.J, Zheng, S. | | Deposit date: | 2019-08-29 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Mapping and engineering the interaction between adiponectin and T-cadherin.
J.Biol.Chem., 295, 2020
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6U6N
 | | Structure of the trimeric globular domain of Adiponectin mutant - D187A Q188A | | Descriptor: | Adiponectin, CHLORIDE ION | | Authors: | Pascolutti, R, Kruse, A.C, Erlandson, S.C, Burri, D.J, Zheng, S. | | Deposit date: | 2019-08-30 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Mapping and engineering the interaction between adiponectin and T-cadherin.
J.Biol.Chem., 295, 2020
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6U7W
 | | NMR solution structure of a triazole bridged KLK7 inhibitor | | Descriptor: | 1-methyl-1H-1,2,3-triazole, GLY-LYS-ALA-LEU-PHE-SER-ASN-PRO-PRO-ILE-ALA-PHE-PRO-ASN | | Authors: | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | | Deposit date: | 2019-09-03 | | Release date: | 2020-04-22 | | Last modified: | 2020-07-15 | | Method: | SOLUTION NMR | | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6R7R
 | | Crystal structure of the glutamate transporter homologue GltTk in complex with D-aspartate | | Descriptor: | D-ASPARTIC ACID, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Arkhipova, V, Guskov, A, Slotboom, D.J. | | Deposit date: | 2019-03-29 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding and transport of D-aspartate by the glutamate transporter homolog Glt Tk .
Elife, 8, 2019
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4M10
 | | Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J. | | Deposit date: | 2013-08-02 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
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4M11
 | | Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | | Authors: | Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J. | | Deposit date: | 2013-08-02 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
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7BCQ
 | | ASCT2 in the presence of the inhibitor Lc-BPE (position "up") in the outward-open conformation. | | Descriptor: | 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7BCT
 | | ASCT2 in the presence of the inhibitor ERA-21 in the outward-open conformation. | | Descriptor: | Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7BCS
 | | ASCT2 in the presence of the inhibitor Lc-BPE (position "down") in the outward-open conformation. | | Descriptor: | (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7BMK
 | | ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase Helix-alphaC to Segregate its RNase-Mediated Biological Outputs | | Descriptor: | 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Feldman, H.C, Ghosh, R, Auyeung, V, Mueller, J.L, Vidadala, V.N, Olivier, A, Backes, B.J, Zikherman, J, Papa, F.R, Maly, D.J. | | Deposit date: | 2021-01-20 | | Release date: | 2021-09-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | ATP-competitive partial antagonists of the IRE1 alpha RNase segregate outputs of the UPR.
Nat.Chem.Biol., 17, 2021
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6RA0
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6UF1
 | | Pistol ribozyme transition-state analog vanadate | | Descriptor: | MANGANESE (II) ION, RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(GVA)*UP*CP*CP*AP*A)-3'), RNA (50-MER) | | Authors: | Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R. | | Deposit date: | 2019-09-23 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
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3KHL
 | | Dpo4 post-extension ternary complex with misinserted A opposite the 2-aminofluorene-guanine [AF]G lesion | | Descriptor: | 2-AMINOFLUORENE, 5'-D(*CP*C*TP*AP*AP*CP*GP*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*AP*(DDG))-3', ... | | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | | Deposit date: | 2009-10-30 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanism of error-free and semitargeted mutagenic bypass of an aromatic amine lesion by Y-family polymerase Dpo4.
Nat.Struct.Mol.Biol., 17, 2010
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6U0K
 | | TTBK2 kinase domain in complex with Compound 1 | | Descriptor: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Marcotte, D.J, Chodaparambil, J.V. | | Deposit date: | 2019-08-14 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.744 Å) | | Cite: | The crystal structure of the catalytic domain of tau tubulin kinase 2 in complex with a small-molecule inhibitor
Acta Crystallogr.,Sect.F, 76, 2020
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3FC6
 | | hRXRalpha & mLXRalpha with an indole Pharmacophore, SB786875 | | Descriptor: | Nr1h3 protein, RETINOIC ACID, Retinoic acid receptor RXR-alpha, ... | | Authors: | Washburn, D.G, Hoang, T.H, Campobasso, N, Smallwood, A, Parks, D.J, Webb, C.L, Frank, K, Nord, M, Duraiswami, C, Evans, C, Jaye, M, Thompson, S.K. | | Deposit date: | 2008-11-21 | | Release date: | 2009-02-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.063 Å) | | Cite: | Synthesis and SAR of potent LXR agonists containing an indole pharmacophore.
Bioorg.Med.Chem.Lett., 19, 2009
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6RKD
 | | Molybdenum storage protein under turnover conditions | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MO(VI)(=O)(OH)2 CLUSTER, ... | | Authors: | Bruenle, S, Mills, D.J, Vonck, J, Ermler, U. | | Deposit date: | 2019-04-30 | | Release date: | 2019-12-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Proc.Natl.Acad.Sci.USA, 2019
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4MAD
 | | Crystal structure of beta-galactosidase C (BgaC) from Bacillus circulans ATCC 31382 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Beta-galactosidase | | Authors: | Kamerke, C, You, D.J, Kanaya, S, Elling, L. | | Deposit date: | 2013-08-16 | | Release date: | 2014-08-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational design of a glycosynthase by the crystal structure of beta-galactosidase from Bacillus circulans (BgaC) and its use for the synthesis of N-acetyllactosamine type 1 glycan structures.
J.Biotechnol., 191, 2014
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4MES
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6U9T
 | | Wild-type MthK pore in 50 mM K+ | | Descriptor: | Calcium-gated potassium channel MthK, HEXANE-1,6-DIOL, POTASSIUM ION | | Authors: | Posson, D.J, Nimigean, C.M. | | Deposit date: | 2019-09-09 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Selectivity filter ion binding affinity determines inactivation in a potassium channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4MEM
 | | Crystal Structure of the rat USP11 DUSP-UBL domains | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 11 | | Authors: | Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I. | | Deposit date: | 2013-08-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
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6RH6
 | | Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of NECAP1 PHear domain with phosphorylated AP2 mu2 148-163 | | Descriptor: | AP-2 complex subunit mu, Adaptin ear-binding coat-associated protein 1 | | Authors: | Owen, D.J, Neuhaus, D, Yang, J.-C, Herrmann, T. | | Deposit date: | 2019-04-18 | | Release date: | 2019-09-04 | | Method: | SOLUTION NMR | | Cite: | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
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4LTS
 | | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | | Deposit date: | 2013-07-23 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.692 Å) | | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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