4BVV
 
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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4CAS
 | | Serial femtosecond crystallography structure of a photosynthetic reaction center | | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | | Authors: | Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R. | | Deposit date: | 2013-10-09 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
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3IPQ
 | | X-ray structure of GW3965 synthetic agonist bound to the LXR-alpha | | Descriptor: | Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ... | | 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 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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7CYV
 | | Crystal structure of FD20, a neutralizing single-chain variable fragment (scFv) in complex with SARS-CoV-2 Spike receptor-binding domain (RBD) | | Descriptor: | Spike protein S1, The heavy chain variable region of the scFv FD20,The light chain variable region of the scFv FD20, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Li, Y, Li, T, Lai, Y, Cai, H, Yao, H, Li, D. | | Deposit date: | 2020-09-04 | | Release date: | 2021-09-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Uncovering a conserved vulnerability site in SARS-CoV-2 by a human antibody.
Embo Mol Med, 13, 2021
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1M3A
 | | Solution structure of a circular form of the truncated N-terminal SH3 domain from oncogene protein c-Crk. | | Descriptor: | Proto-oncogene C-crk | | Authors: | Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D. | | Deposit date: | 2002-06-27 | | Release date: | 2003-08-05 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
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4BKL
 | | Crystal structure of the arthritogenic antibody M2139 (Fab fragment) in complex with the triple-helical J1 peptide | | Descriptor: | J1 EPITOPE, M2139 FAB FRAGMENT HEAVY CHAIN, M2139 FAB FRAGMENT LIGHT CHAIN | | Authors: | Raposo, B, Dobritzsch, D, Ge, C, Ekman, D, Lindh, I, Foerster, M, Uysal, H, Schneider, G, Holmdahl, R. | | Deposit date: | 2013-04-26 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Epitope-Specific Antibody Response is Controlled by Immunoglobulin Vh Polymorphisms.
J.Exp.Med., 211, 2014
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4CFE
 | | Structure of full length human AMPK in complex with a small molecule activator, a benzimidazole derivative (991) | | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | | Authors: | Xiao, B, Sanders, M.J, Carmena, D, Bright, N.J, Haire, L.F, Underwood, E, Patel, B.R, Heath, R.B, Walker, P.A, Hallen, S, Giordanetto, F, Martin, S.R, Carling, D, Gamblin, S.J. | | Deposit date: | 2013-11-14 | | Release date: | 2013-12-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.023 Å) | | Cite: | Structural Basis of Ampk Regulation by Small Molecule Activators.
Nat.Commun., 4, 2013
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2MRP
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1G6G
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1Y92
 | | Crystal structure of the P19A/N67D Variant Of Bovine seminal Ribonuclease | | Descriptor: | Seminal ribonuclease | | Authors: | Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L. | | Deposit date: | 2004-12-14 | | Release date: | 2004-12-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE.
J.Biol.Chem., 280, 2005
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4FZ3
 | | Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin | | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | | Authors: | Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
J.Med.Chem., 56, 2013
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4QCA
 | | Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant R167AD4 | | Descriptor: | CHLORIDE ION, GLYCEROL, POTASSIUM ION, ... | | Authors: | Sartmatova, D, Nash, T, Schormann, N, Nuth, M, Ricciardi, R, Banerjee, S, Chattopadhyay, D. | | Deposit date: | 2014-05-09 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallization and preliminary X-ray diffraction analysis of three recombinant mutants of Vaccinia virus uracil DNA glycosylase.
Acta Crystallogr.,Sect.F, 69, 2013
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7CR0
 | | human KCNQ2 in apo state | | Descriptor: | Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7CR3
 | | human KCNQ2-CaM in apo state | | Descriptor: | Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7C31
 | | Crystal structure of the grapevine defensin VvK1 | | Descriptor: | Knot1 domain-containing protein | | Authors: | Chen, M.W, Chang, S.C, Chandy, K.G, Luo, D. | | Deposit date: | 2020-05-10 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin.
Acs Pharmacol Transl Sci, 3, 2020
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4RUB
 | | A CRYSTAL FORM OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM NICOTIANA TABACUM IN THE ACTIVATED STATE | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Schreuder, H, Cascio, D, Curmi, P.M.G, Eisenberg, D. | | Deposit date: | 1990-05-25 | | Release date: | 1992-10-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A crystal form of ribulose-1,5-bisphosphate carboxylase/oxygenase from Nicotiana tabacum in the activated state.
J.Mol.Biol., 197, 1987
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4BZO
 | | Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor | | Descriptor: | N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Casale, E, Casuscelli, F, Ardini, E, Avanzi, N, Cervi, G, D'Anello, M, Donati, D, Faiardi, D, Ferguson, R.D, Fogliatto, G, Galvani, A, Marsiglio, A, Mirizzi, D.G, Montemartini, M, Orrenius, C, Papeo, G, Piutti, C, Salom, B, Felder, E.R. | | Deposit date: | 2013-07-29 | | Release date: | 2013-10-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases.
Bioorg.Med.Chem., 21, 2013
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7CAN
 | | Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | | Authors: | Li, T, Yao, H, Cai, H, Qin, W, Li, D. | | Deposit date: | 2020-06-09 | | Release date: | 2020-06-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
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7CR4
 | | human KCNQ2-CaM in complex with ztz240 | | Descriptor: | Calmodulin-3, N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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2CC2
 | | X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 5'deoxyadenosine | | Descriptor: | 5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION | | Authors: | Mcewan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Spencer, J, Naismith, J.H. | | Deposit date: | 2006-01-11 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates.
Org. Biomol. Chem., 4, 2006
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5B8I
 | | Crystal structure of Calcineurin A and Calcineurin B in complex with FKBP12 and FK506 from Coccidioides immitis RS | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Dranow, D.M, Lorimer, D.D, Edwards, T.E. | | Deposit date: | 2015-05-03 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
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4QVK
 | | Apo-crystal structure of Podospora anserina methyltransferase PaMTH1 | | Descriptor: | 1,2-ETHANEDIOL, PaMTH1 Methyltransferase | | Authors: | Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H. | | Deposit date: | 2014-07-15 | | Release date: | 2015-05-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
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1M3B
 | | Solution structure of a circular form of the N-terminal SH3 domain (A134C, E135G, R191G mutant) from oncogene protein c-Crk. | | Descriptor: | Proto-oncogene C-crk | | Authors: | Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D. | | Deposit date: | 2002-06-27 | | Release date: | 2003-08-05 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
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3H6P
 | | Crystal structure of Rv3019c-Rv3020c from Mycobacterium tuberculosis | | Descriptor: | ESAT-6 LIKE PROTEIN ESXS, ESAT-6-like protein esxR, GLYCEROL | | Authors: | Chan, S, Arbing, M, Phan, T, Kaufmann, M, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI) | | Deposit date: | 2009-04-23 | | Release date: | 2009-06-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of Rv3019c-Rv3020c from Mycobacterium tuberculosis
To be Published
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3ZJE
 | | A20 OTU domain in reversibly oxidised (SOH) state | | Descriptor: | 1,2-ETHANEDIOL, A20P50, CHLORIDE ION | | Authors: | Kulathu, Y, Garcia, F.J, Mevissen, T.E.T, Busch, M, Arnaudo, N, Carroll, K.S, Barford, D, Komander, D. | | Deposit date: | 2013-01-17 | | Release date: | 2013-03-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Regulation of A20 and Other Otu Deubiquitinases by Reversible Oxidation
Nat.Commun., 4, 2013
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