7NWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nww by Molmil](/molmil-images/mine/7nww) | CspA-27 cotranslational folding intermediate 1 | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V. | Deposit date: | 2021-03-17 | Release date: | 2022-01-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | A switch from alpha-helical to beta-strand conformation during co-translational protein folding. Embo J., 41, 2022
|
|
7OII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oii by Molmil](/molmil-images/mine/7oii) | CspA-70 cotranslational folding intermediate 2 | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V. | Deposit date: | 2021-05-11 | Release date: | 2022-01-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A switch from alpha-helical to beta-strand conformation during co-translational protein folding. Embo J., 41, 2022
|
|
7F3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f3y by Molmil](/molmil-images/mine/7f3y) | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with methotrexate (MTX), NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ... | Authors: | Vanichtanankul, J, Tanramluk, D, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2021-06-17 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances. Structure, 30, 2022
|
|
8AKO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ako by Molmil](/molmil-images/mine/8ako) | Structure of EspB-EspK complex: the non-identical twin of the PE-PPE-EspG secretion mechanism. | Descriptor: | ESX-1 secretion-associated protein EspB, ESX-1 secretion-associated protein EspK | Authors: | Gijsbers, A, Eymery, M, Menart, I, Vinciauskaite, V, Gao, Y, Siliqi, D, Peters, P, Mccarthy, A, Ravelli, R.B.G. | Deposit date: | 2022-07-30 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | The crystal structure of the EspB-EspK virulence factor-chaperone complex suggests an additional type VII secretion mechanism in Mycobacterium tuberculosis. J.Biol.Chem., 299, 2022
|
|
7NTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nto by Molmil](/molmil-images/mine/7nto) | The structure of RRM domain of human TRMT2A at 1.23 A resolution | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | Authors: | Witzenberger, M, Janowski, R, Davydova, E, Niessing, D. | Deposit date: | 2021-03-10 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death. Comput Struct Biotechnol J, 20, 2022
|
|
8ATF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8atf by Molmil](/molmil-images/mine/8atf) | Nucleosome-bound Ino80 ATPase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (226-MER), DNA (227-MER), ... | Authors: | Kunert, F, Metzner, F.J, Eustermann, S, Jung, J, Woike, S, Schall, K, Kostrewa, D, Hopfner, K.P. | Deposit date: | 2022-08-23 | Release date: | 2022-12-14 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural mechanism of extranucleosomal DNA readout by the INO80 complex. Sci Adv, 8, 2022
|
|
7F3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f3z by Molmil](/molmil-images/mine/7f3z) | Double mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-K1, C59R+S108N) complexed with Trimethoprim (TOP), NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ... | Authors: | Vanichtanankul, J, Tanramluk, D, Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2021-06-17 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances. Structure, 30, 2022
|
|
7NXH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nxh by Molmil](/molmil-images/mine/7nxh) | Structure of SARS-CoV2 NSP5 (3C-like proteinase) determined in-house | Descriptor: | 3C-like proteinase | Authors: | Calderone, V, Grifagni, D, Cantini, F, Fragai, M, Banci, L. | Deposit date: | 2021-03-18 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | SARS-CoV-2 M pro inhibition by a zinc ion: structural features and hints for drug design. Chem.Commun.(Camb.), 57, 2021
|
|
8AAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aag by Molmil](/molmil-images/mine/8aag) | H1-bound palindromic nucleosome, state 1 | Descriptor: | DNA/RNA (185-MER), Histone H1.0-B, Histone H2A type 1, ... | Authors: | Alegrio Louro, J, Beinsteiner, B, Cheng, T.C, Patel, A.K.M, Boopathi, R, Angelov, D, Hamiche, A, Bednar, J, Kale, S, Dimitrov, S, Klaholz, B. | Deposit date: | 2022-07-01 | Release date: | 2022-12-14 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Nucleosome dyad determines the H1 C-terminus collapse on distinct DNA arms. Structure, 31, 2023
|
|
8AV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8av6 by Molmil](/molmil-images/mine/8av6) | CryoEM structure of INO80 core nucleosome complex in closed grappler conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DASH complex subunit DAD4, ... | Authors: | Kunert, F, Metzner, F.J, Eustermann, S, Jung, J, Woike, S, Schall, K, Kostrewa, D, Hopfner, K.P. | Deposit date: | 2022-08-26 | Release date: | 2022-12-14 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (4.68 Å) | Cite: | Structural mechanism of extranucleosomal DNA readout by the INO80 complex. Sci Adv, 8, 2022
|
|
1PJ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pj6 by Molmil](/molmil-images/mine/1pj6) | Crystal structure of dimethylglycine oxidase of Arthrobacter globiformis in complex with folic acid | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FOLIC ACID, N,N-dimethylglycine oxidase, ... | Authors: | Leys, D, Basran, J, Scrutton, N.S. | Deposit date: | 2003-06-01 | Release date: | 2003-10-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Channelling and formation of 'active' formaldehyde in dimethylglycine oxidase. Embo J., 22, 2003
|
|
2WGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wgm by Molmil](/molmil-images/mine/2wgm) | Complete ion-coordination structure in the rotor ring of Na-dependent F-ATP synthase | Descriptor: | ATP SYNTHASE SUBUNIT C, SODIUM ION SPECIFIC, NONAN-1-OL, ... | Authors: | Meier, T, Pogoryelov, D, Diederichs, K. | Deposit date: | 2009-04-21 | Release date: | 2009-06-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Complete Ion-Coordination Structure in the Rotor Ring of Na(+)-Dependent F-ATP Synthases. J.Mol.Biol., 391, 2009
|
|
8B0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b0t by Molmil](/molmil-images/mine/8b0t) | SARS-CoV-2 Main Protease adduct with Au(PEt3)Br | Descriptor: | 3C-like proteinase nsp5, GOLD ION | Authors: | Massai, L, Grifagni, D, De Santis, A, Geri, A, Calderone, V, Cantini, F, Banci, L, Messori, L. | Deposit date: | 2022-09-08 | Release date: | 2022-12-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs. Biomolecules, 12, 2022
|
|
2WGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wgr by Molmil](/molmil-images/mine/2wgr) | Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase | Descriptor: | GLUTATHIONE PEROXIDASE, PYROPHOSPHATE 2- | Authors: | Dimastrogiovanni, D, Anselmi, M, Miele, A.E, Boumis, G, Angelucci, F, Di Nola, A, Brunori, M, Bellelli, A. | Deposit date: | 2009-04-24 | Release date: | 2009-09-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Combining Crystallography and Molecular Dynamics: The Case of Schistosoma Mansoni Phospholipid Glutathione Peroxidase. Proteins, 78, 2010
|
|
7NWX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nwx by Molmil](/molmil-images/mine/7nwx) | SARS-COV2 NSP5 in the presence of Zn2+ | Descriptor: | Replicase polyprotein 1a, ZINC ION | Authors: | Calderone, V, Grifagni, D, Cantini, F, Fragai, M, Banci, L. | Deposit date: | 2021-03-17 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | SARS-CoV-2 M pro inhibition by a zinc ion: structural features and hints for drug design. Chem.Commun.(Camb.), 57, 2021
|
|
1PIP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pip by Molmil](/molmil-images/mine/1pip) | CRYSTAL STRUCTURE OF PAPAIN-SUCCINYL-GLN-VAL-VAL-ALA-ALA-P-NITROANILIDE COMPLEX AT 1.7 ANGSTROMS RESOLUTION: NONCOVALENT BINDING MODE OF A COMMON SEQUENCE OF ENDOGENOUS THIOL PROTEASE INHIBITORS | Descriptor: | Papain, SUCCINYL-GLN-VAL-VAL-ALA-ALA-P-NITROANILIDE | Authors: | Yamamoto, A, Tomoo, K, Doi, M, Ohishi, H, Inoue, M, Ishida, T, Yamamoto, D, Tsuboi, S, Okamoto, H, Okada, Y. | Deposit date: | 1992-10-03 | Release date: | 1993-10-31 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of papain-succinyl-Gln-Val-Val-Ala-Ala-p-nitroanilide complex at 1.7-A resolution: noncovalent binding mode of a common sequence of endogenous thiol protease inhibitors. Biochemistry, 31, 1992
|
|
8B0S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b0s by Molmil](/molmil-images/mine/8b0s) | SARS-COV-2 Main Protease adduct with Au(NHC)Cl | Descriptor: | 3C-like proteinase nsp5, GOLD ION | Authors: | Massai, L, Grifagni, D, Desantis, A, Geri, A, Calderone, V, Cantini, F, Messori, L, Banci, L. | Deposit date: | 2022-09-08 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs. Biomolecules, 12, 2022
|
|
2W8F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w8f by Molmil](/molmil-images/mine/2w8f) | Aplysia californica AChBP bound to in silico compound 31 | Descriptor: | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | Deposit date: | 2009-01-16 | Release date: | 2009-04-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis. J.Med.Chem., 52, 2009
|
|
2V7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v7t by Molmil](/molmil-images/mine/2v7t) | |
1PBR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pbr by Molmil](/molmil-images/mine/1pbr) | STRUCTURE OF 16S RIBOSOMAL RNA, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | 16S RIBOSOMAL RNA, 2,6-diamino-2,6-dideoxy-beta-L-idopyranose-(1-3)-beta-D-ribofuranose, 2-DEOXYSTREPTAMINE, ... | Authors: | Fourmy, D, Recht, M.I, Blanchard, S, Puglisi, J.D. | Deposit date: | 1996-09-12 | Release date: | 1997-09-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of the A site of Escherichia coli 16S ribosomal RNA complexed with an aminoglycoside antibiotic. Science, 274, 1996
|
|
2V65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v65 by Molmil](/molmil-images/mine/2v65) | Apo LDH from the psychrophile C. gunnari | Descriptor: | L-LACTATE DEHYDROGENASE A CHAIN | Authors: | Coquelle, N, Madern, D, Vellieux, F. | Deposit date: | 2007-07-13 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Activity, Stability and Structural Studies of Lactate Dehydrogenases Adapted to Extreme Thermal Environments. J.Mol.Biol., 374, 2007
|
|
2V29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v29 by Molmil](/molmil-images/mine/2v29) | |
2UVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uvq by Molmil](/molmil-images/mine/2uvq) | Crystal structure of human uridine-cytidine kinase 1 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, URIDINE-CYTIDINE KINASE 1 | Authors: | Kosinska, U, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E.P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Nordlund, P. | Deposit date: | 2007-03-13 | Release date: | 2007-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Human Uridine-Cytidine Kinase 1 To be Published
|
|
1PEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pey by Molmil](/molmil-images/mine/1pey) | Crystal structure of the Response Regulator Spo0F complexed with Mn2+ | Descriptor: | MANGANESE (II) ION, Sporulation initiation phosphotransferase F | Authors: | Mukhopadhyay, D, Sen, U, Zapf, J, Varughese, K.I. | Deposit date: | 2003-05-22 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Metals in the sporulation phosphorelay: manganese binding by the response regulator Spo0F. Acta Crystallogr.,Sect.D, 60, 2004
|
|
2VBF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vbf by Molmil](/molmil-images/mine/2vbf) | The holostructure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis | Descriptor: | BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION, THIAMINE DIPHOSPHATE | Authors: | Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G. | Deposit date: | 2007-09-12 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction Acta Crystallogr.,Sect.D, 63, 2007
|
|