5I4O
 
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28). | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine, ... | | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | Deposit date: | 2016-02-12 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
|
|
5I43
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32). | | Descriptor: | (2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | Deposit date: | 2016-02-11 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
|
|
6DWD
 | | SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DW4
 | | SAMHD1 Bound to Cladribine-TP in the Catalytic Pocket and Allosteric Pocket | | Descriptor: | 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DW7
 | | SAMHD1 without Catalytic Nucleotides | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GLYCINE, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DW3
 | | SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DW5
 | | SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6EKB
 | | Crystal structure of the BSD2 homolog of Arabidopsis thaliana | | Descriptor: | DnaJ/Hsp40 cysteine-rich domain superfamily protein, ZINC ION | | Authors: | Aigner, H, Wilson, R.H, Bracher, A, Calisse, L, Bhat, J.Y, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2017-09-26 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Plant RuBisCo assembly in E. coli with five chloroplast chaperones including BSD2.
Science, 358, 2017
|
|
5FWQ
 | | Apo structure of human Leukotriene A4 hydrolase | | Descriptor: | ACETATE ION, HUMAN LEUKOTRIENE A4 HYDROLASE, IMIDAZOLE, ... | | Authors: | Wittmann, S.K, Kalinowsky, L, Kramer, J, Bloecher, R, Steinhilber, D, Pogoryelov, D, Proschak, E, Heering, J. | | Deposit date: | 2016-02-19 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Thermodynamic properties of leukotriene A4hydrolase inhibitors.
Bioorg.Med.Chem., 24, 2016
|
|
6DWK
 | | SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DWJ
 | | SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6EKC
 | | Crystal structure of the BSD2 homolog of Arabidopsis thaliana bound to the octameric assembly of RbcL from Thermosynechococcus elongatus | | Descriptor: | DnaJ/Hsp40 cysteine-rich domain superfamily protein, Ribulose bisphosphate carboxylase large chain, ZINC ION | | Authors: | Aigner, H, Wilson, R.H, Bracher, A, Calisse, L, Bhat, J.Y, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2017-09-26 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Plant RuBisCo assembly in E. coli with five chloroplast chaperones including BSD2.
Science, 358, 2017
|
|
3GIM
 | | Dpo4 extension ternary complex with oxoG(anti)-G(syn) pair | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(DDG))-3', ... | | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | | Deposit date: | 2009-03-05 | | Release date: | 2009-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases.
Structure, 17, 2009
|
|
3GIK
 | | Dpo4 extension ternary complex with the oxoG(anti)-C(anti) pair | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(DOC))-3', ... | | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | | Deposit date: | 2009-03-05 | | Release date: | 2009-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases.
Structure, 17, 2009
|
|
3GIJ
 | | Dpo4 extension ternary complex with oxoG(syn)-A(anti) and oxoG(anti)-A(syn) pairs | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(2DA))-3', ... | | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | | Deposit date: | 2009-03-05 | | Release date: | 2009-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases.
Structure, 17, 2009
|
|
6IEJ
 | | The C2 domain of cytosolic phospholipase A2 alpha bound to phosphatidylcholine | | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, CALCIUM ION, Cytosolic phospholipase A2, ... | | Authors: | Hirano, Y, Gao, Y.G, Stephenson, D.J, Vu, N.T, Malinina, L, Chalfant, C.E, Patel, D.J, Brown, R.E. | | Deposit date: | 2018-09-14 | | Release date: | 2019-05-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.206 Å) | | Cite: | Structural basis of phosphatidylcholine recognition by the C2-domain of cytosolic phospholipase A2alpha.
Elife, 8, 2019
|
|
3GII
 | | Dpo4 extension ternary complex with disordered A opposite an oxoG in anti conformation | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(2DA))-3', ... | | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | | Deposit date: | 2009-03-05 | | Release date: | 2009-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases.
Structure, 17, 2009
|
|
3GIL
 | | Dpo4 extension ternary complex with oxoG(anti)-T(anti) pair | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(2DT))-3', ... | | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | | Deposit date: | 2009-03-05 | | Release date: | 2009-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases.
Structure, 17, 2009
|
|
7A5V
 | | CryoEM structure of a human gamma-aminobutyric acid receptor, the GABA(A)R-beta3 homopentamer, in complex with histamine and megabody Mb25 in lipid nanodisc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Nakane, T, Kotecha, A, Sente, A, Yamashita, K, McMullan, G, Masiulis, S, Brown, P.M.G.E, Grigoras, I.T, Malinauskaite, L, Malinauskas, T, Miehling, J, Yu, L, Karia, D, Pechnikova, E.V, de Jong, E, Keizer, J, Bischoff, M, McCormack, J, Tiemeijer, P, Hardwick, S.W, Chirgadze, D.Y, Murshudov, G, Aricescu, A.R, Scheres, S.H.W. | | Deposit date: | 2020-08-22 | | Release date: | 2020-11-18 | | Last modified: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (1.7 Å) | | Cite: | Single-particle cryo-EM at atomic resolution.
Nature, 587, 2020
|
|
7A4M
 | | Cryo-EM structure of mouse heavy-chain apoferritin at 1.22 A | | Descriptor: | FE (III) ION, Ferritin heavy chain, ZINC ION | | Authors: | Nakane, T, Kotecha, A, Sente, A, Yamashita, K, McMullan, G, Masiulis, S, Brown, P.M.G.E, Grigoras, I.T, Malinauskaite, L, Malinauskas, T, Miehling, J, Yu, L, Karia, D, Pechnikova, E.V, de Jong, E, Keizer, J, Bischoff, M, McCormack, J, Tiemeijer, P, Hardwick, S.W, Chirgadze, D.Y, Murshudov, G, Aricescu, A.R, Scheres, S.H.W. | | Deposit date: | 2020-08-20 | | Release date: | 2020-10-28 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (1.22 Å) | | Cite: | Single-particle cryo-EM at atomic resolution.
Nature, 587, 2020
|
|
1W7X
 | | Factor7 - 413 complex | | Descriptor: | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-ACETYLAMINO]-PHENYL-ACETIC ACID, BLOOD COAGULATION FACTOR VIIA, CALCIUM ION, ... | | Authors: | Ackermann, J, Alig, L, Banner, D.W, Boehm, H.-J, Groebke-Zbinden, K, Hilpert, K, Lave, T, Kuehne, H, Obst-Sander, U, Riederer, M.A, Stahl, M, Tschopp, T.B, Weber, L, Wessel, H.P. | | Deposit date: | 2004-09-14 | | Release date: | 2005-10-25 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Selective and Orally Bioavailable Phenylglycine Tissue Factor/Factor Viia Inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
|
|
1W8B
 | | Factor7 - 413 complex | | Descriptor: | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-ACETYLAMINO]-PHENYL-ACETIC ACID, BLOOD COAGULATION FACTOR VIIA, CALCIUM ION | | Authors: | Ackermann, J, Alig, L, Banner, D.W, Boehm, H.-J, Groebke-Zbinden, K, Hilpert, K, Lave, T, Kuehne, H, Obst-Sander, U, Riederer, M.A, Stahl, M, Tschopp, T.B, Weber, L, Wessel, H.P. | | Deposit date: | 2004-09-17 | | Release date: | 2005-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Selective and Orally Bioavailable Phenylglycine Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
|
|
4J2I
 | | Multiple crystal structures of an all-AT DNA dodecamer stabilized by weak interactions | | Descriptor: | 5'-D(*AP*AP*TP*AP*AP*AP*TP*TP*TP*AP*TP*T)-3' | | Authors: | Acosta-Reyes, F.J, Subirana, J.A, Pous, J, Sanchez, R, Condom, N, Baldini, R, Malinina, L, Campos, J.L. | | Deposit date: | 2013-02-04 | | Release date: | 2014-02-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Polymorphic crystal structures of an all-AT DNA dodecamer.
Biopolymers, 103, 2015
|
|
3KHH
 | | Dpo4 extension ternary complex with a C base opposite the 2-aminofluorene-guanine [AF]G lesion | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-AMINOFLUORENE, 5'-D(*CP*CP*TP*A*AP*CP*GP*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-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 (2.7 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
|
|
3KHG
 | | Dpo4 extension ternary complex with misinserted A opposite the 2-aminofluorene-guanine [AF]G lesion | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-AMINOFLUORENE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 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 (2.96 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
|
|
