8EX9
 
 | | ISDra2 TnpB in complex with reRNA and cognate DNA, conformation 2 (RuvC domain unresolved) | | Descriptor: | DNA (43-MER), RNA (150-MER), RNA-guided DNA endonuclease TnpB | | Authors: | Sasnauskas, G, Tamulaitiene, G, Carabias, A, Karvelis, T, Druteika, G, Silanskas, A, Montoya, G, Venclovas, C, Kazlauskas, D, Siksnys, V. | | Deposit date: | 2022-10-25 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | TnpB structure reveals minimal functional core of Cas12 nuclease family.
Nature, 616, 2023
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6E6Z
 | | Structure of Wild Type Human Transthyretin in Complex with Tafamidis | | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | Authors: | Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Variants of Transthyretin
To Be Published
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6E77
 | | Structure of Human Transthyretin Asp38Ala Mutant in Complex with Tafamidis | | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | Authors: | Saelices, L, Chung, K, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Variants of Transthyretin
To Be Published
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1WOH
 | | Crystal Structure of Agmatinase Reveals Structural Conservation and Inhibition Mechanism of the Ureohydrolase Superfamily | | Descriptor: | agmatinase | | Authors: | Ahn, H.J, Kim, K.H, Lee, J, Ha, J.-Y, Lee, H.H, Kim, D, Yoon, H.-J, Kwon, A.-R, Suh, S.W. | | Deposit date: | 2004-08-18 | | Release date: | 2004-09-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of agmatinase reveals structural conservation and inhibition mechanism of the ureohydrolase superfamily
J.Biol.Chem., 279, 2004
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1J2L
 | | Crystal structure of the disintegrin, trimestatin | | Descriptor: | Disintegrin triflavin, SULFATE ION | | Authors: | Fujii, Y, Okuda, D, Fujimoto, Z, Morita, T, Mizuno, H. | | Deposit date: | 2003-01-06 | | Release date: | 2003-10-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Trimestatin, a Disintegrin Containing a Cell Adhesion Recognition Motif RGD
J.Mol.Biol., 332, 2003
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5LCN
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2MUS
 | | HADDOCK calculated model of LIN5001 bound to the HET-s amyloid | | Descriptor: | 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s | | Authors: | Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A. | | Deposit date: | 2014-09-16 | | Release date: | 2017-02-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure-based drug design identifies polythiophenes as antiprion compounds.
Sci Transl Med, 7, 2015
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5LJN
 | | Structure of the HOIP PUB domain bound to SPATA2 PIM peptide | | Descriptor: | E3 ubiquitin-protein ligase RNF31, GLYCEROL, SULFATE ION, ... | | Authors: | Elliott, P.R, Komander, D. | | Deposit date: | 2016-07-18 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
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1WOI
 | | Crystal Structure of Agmatinase Reveals Structural Conservation and Inhibition Mechanism of the Ureohydrolase Superfamily | | Descriptor: | MANGANESE (II) ION, agmatinase | | Authors: | Ahn, H.J, Kim, K.H, Lee, J, Ha, J.-Y, Lee, H.H, Kim, D, Yoon, H.-J, Kwon, A.-R, Suh, S.W. | | Deposit date: | 2004-08-18 | | Release date: | 2004-09-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of agmatinase reveals structural conservation and inhibition mechanism of the ureohydrolase superfamily
J.Biol.Chem., 279, 2004
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3IPU
 | | X-ray structure of benzisoxazole urea synthetic agonist bound to the LXR-alpha | | Descriptor: | 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ... | | Authors: | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | | Deposit date: | 2009-08-18 | | Release date: | 2010-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
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3I6Z
 | | 3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide, ... | | Authors: | Lamba, D, Bartolucci, C. | | Deposit date: | 2009-07-07 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
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1EZI
 | | Structure of a sialic acid activating synthetase, CMP acylneuraminate synthetase in the presence and absence of CDP | | Descriptor: | CMP-N-ACETYLNEURAMINIC ACID SYNTHETASE | | Authors: | Mosimann, S.C, Gilbert, M, Dombrowski, D, Wakarchuk, W, Strynadka, N.C. | | Deposit date: | 2000-05-11 | | Release date: | 2001-02-14 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a sialic acid-activating synthetase, CMP-acylneuraminate synthetase in the presence and absence of CDP.
J.Biol.Chem., 276, 2001
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1NX2
 | | Calpain Domain VI | | Descriptor: | CALCIUM ION, Calcium-dependent protease, small subunit | | Authors: | Todd, B, Moore, D, Deivanayagam, C.C.S, Lin, G.-D, Chattopadhyay, D, Maki, M, Wang, K.K.W, Narayana, S.V.L. | | Deposit date: | 2003-02-07 | | Release date: | 2003-08-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A structural model for the inhibition of calpain by calpastatin: crystal structures of the native domain VI of calpain and its complexes with calpastatin peptide and a small molecule inhibitor.
J.Mol.Biol., 328, 2003
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1NYH
 | | Crystal Structure of the Coiled-coil Dimerization Motif of Sir4 | | Descriptor: | Regulatory protein SIR4 | | Authors: | Chang, J.F, Hall, B.E, Tanny, J.C, Moazed, D, Filman, D, Ellenberger, T. | | Deposit date: | 2003-02-12 | | Release date: | 2003-06-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the Coiled-coil Dimerization Motif of Sir4 and Its Interaction With Sir3
Structure, 11, 2003
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1F5R
 | | RAT TRYPSINOGEN MUTANT COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR | | Descriptor: | CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, TRYPSIN II, ... | | Authors: | Pasternak, A, White, A, Cahoon, M, Ringe, D, Hedstrom, L. | | Deposit date: | 2000-06-15 | | Release date: | 2001-07-04 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity.
Protein Sci., 10, 2001
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1IHD
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1IM3
 | | Crystal Structure of the human cytomegalovirus protein US2 bound to the MHC class I molecule HLA-A2/tax | | Descriptor: | HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN, Human T-cell lymphotropic virus type 1 Tax peptide, ... | | Authors: | Gewurz, B.E, Gaudet, R, Tortorella, D, Wang, E.W, Ploegh, H.L, Wiley, D.C. | | Deposit date: | 2001-05-09 | | Release date: | 2001-06-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Antigen presentation subverted: Structure of the human cytomegalovirus protein US2 bound to the class I molecule HLA-A2.
Proc.Natl.Acad.Sci.USA, 98, 2001
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6EPO
 | | RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3 | | Descriptor: | 3-(4-chlorophenyl)propan-1-amine, GLYCEROL, GTPase KRas, ... | | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | | Deposit date: | 2017-10-12 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6E70
 | | Structure of Wild Type Human Transthyretin in Complex with Diflunisal | | Descriptor: | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, CALCIUM ION, Transthyretin | | Authors: | Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Structural Variants of Transthyretin
To Be Published
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2HFI
 | | Solution NMR Structure of Protein yppE from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR213 | | Descriptor: | Hypothetical protein yppE | | Authors: | Liu, G, Singarapu, K.K, Parish, D, Eletsky, A, Xu, D, Sukumaran, D, Ho, C.K, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-06-23 | | Release date: | 2006-07-25 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of hypothetical protein yppE: Northeast Structural Genomics Consortium Target SR213
TO BE PUBLISHED
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8F2A
 | | Human Amylin3 Receptor in complex with Gs and Pramlintide analogue peptide San385 (Cluster 5 conformation) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Cao, J, Sexton, P.M, Wootten, D.L, Radostin, D. | | Deposit date: | 2022-11-07 | | Release date: | 2023-08-02 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Structural insight into selectivity of amylin and calcitonin receptor agonists.
Nat.Chem.Biol., 20, 2024
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6E76
 | | Structure of Human Transthyretin Asp38Ala/Thr119Met Mutant | | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Saelices, L, Chung, K, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Variants of Transthyretin
To Be Published
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330D
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2NC2
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5M7M
 | | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | | Descriptor: | CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ... | | Authors: | Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L. | | Deposit date: | 2016-10-28 | | Release date: | 2017-08-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors.
J. Med. Chem., 60, 2017
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