7O3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o3c by Molmil](/molmil-images/mine/7o3c) | Murine supercomplex CIII2CIV in the mature unlocked conformation | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | Authors: | Vercellino, I, Sazanov, L.A. | Deposit date: | 2021-04-01 | Release date: | 2021-10-13 | Last modified: | 2021-10-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV. Nature, 598, 2021
|
|
7O37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o37 by Molmil](/molmil-images/mine/7o37) | Murine supercomplex CIII2CIV in the assembled locked conformation | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | Authors: | Vercellino, I, Sazanov, L.A. | Deposit date: | 2021-04-01 | Release date: | 2021-10-13 | Last modified: | 2021-10-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV. Nature, 598, 2021
|
|
6YNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ynq by Molmil](/molmil-images/mine/6ynq) | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-04-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
|
|
2CIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2cik by Molmil](/molmil-images/mine/2cik) | Insights Into Crossreactivity in Human Allorecognition: The Structure of HLA-B35011 Presenting an Epitope derived from Cytochrome P450. | Descriptor: | BETA-2-MICROGLOBULIN, GLYCEROL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN B-35 ALPHA CHAIN, ... | Authors: | Hourigan, C.S, Harkiolaki, M, Peterson, N.A, Bell, J.I, Jones, E.Y, O'Callaghan, C.A. | Deposit date: | 2006-03-22 | Release date: | 2006-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Structure of the Human Allo-Ligand Hla-B3501 in Complex with a Cytochrome P450 Peptide: Steric Hindrance Influences Tcr Allo-Recognition. Eur.J.Immunol., 36, 2006
|
|
3C49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3c49 by Molmil](/molmil-images/mine/3c49) | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948 | Descriptor: | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one, Poly(ADP-ribose) polymerase 3 | Authors: | Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-29 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. J.Med.Chem., 52, 2009
|
|
3C4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3c4h by Molmil](/molmil-images/mine/3c4h) | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor DR2313 | Descriptor: | 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Poly(ADP-ribose) polymerase 3 | Authors: | Lehtio, L, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-30 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. J.Med.Chem., 52, 2009
|
|
7BLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7blx by Molmil](/molmil-images/mine/7blx) | Photosystem I of a temperature sensitive mutant Chlamydomonas reinhardtii | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | Authors: | Caspy, I, Nelson, N. | Deposit date: | 2021-01-19 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Dimeric and high-resolution structures of Chlamydomonas Photosystem I from a temperature-sensitive Photosystem II mutant Commun Biol, 4, 2021
|
|
8F0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f0i by Molmil](/molmil-images/mine/8f0i) | |
8ENJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8enj by Molmil](/molmil-images/mine/8enj) | |
2KJL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kjl by Molmil](/molmil-images/mine/2kjl) | |
6WG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wg2 by Molmil](/molmil-images/mine/6wg2) | |
7NR1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nr1 by Molmil](/molmil-images/mine/7nr1) | Crystal structure of holo-S116A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1 | Descriptor: | HpcH/HpaI aldolase, MAGNESIUM ION | Authors: | Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | Deposit date: | 2021-03-02 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7NUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nuj by Molmil](/molmil-images/mine/7nuj) | Crystal structure of holo-SwHPA-Mg (hydroxy ketone aldolase) from Sphingomonas wittichii RW1 | Descriptor: | HpcH/HpaI aldolase, MAGNESIUM ION | Authors: | Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | Deposit date: | 2021-03-12 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
5KAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kaf by Molmil](/molmil-images/mine/5kaf) | RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2016-06-01 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.00001 Å) | Cite: | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
|
|
7O5I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o5i by Molmil](/molmil-images/mine/7o5i) | Crystal structure of apo-SwHKA (Hydroxy ketone aldolase) from Sphingomonas wittichii RW1 | Descriptor: | BROMIDE ION, DI(HYDROXYETHYL)ETHER, HpcH/HpaI aldolase, ... | Authors: | Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | Deposit date: | 2021-04-08 | Release date: | 2022-11-16 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7OOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ooh by Molmil](/molmil-images/mine/7ooh) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 | Descriptor: | 4-IODOPYRAZOLE, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-05-27 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 To Be Published
|
|
7P31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p31 by Molmil](/molmil-images/mine/7p31) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 | Descriptor: | 4-IODOPYRAZOLE, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-07-06 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with small molecule ligands To Be Published
|
|
5KAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kai by Molmil](/molmil-images/mine/5kai) | NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2016-06-01 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.80000925 Å) | Cite: | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
|
|
6NQS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nqs by Molmil](/molmil-images/mine/6nqs) | |
6NQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nqn by Molmil](/molmil-images/mine/6nqn) | Crystal structure of fast switching M159T mutant of fluorescent protein Dronpa (Dronpa2), Y63(3-BrY) | Descriptor: | Fluorescent protein Dronpa | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | Deposit date: | 2019-01-21 | Release date: | 2019-06-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Electrostatic control of photoisomerization pathways in proteins. Science, 367, 2020
|
|
7P68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p68 by Molmil](/molmil-images/mine/7p68) | Globular glial tauopathy type 3 tau filament | Descriptor: | Microtubule-associated protein tau | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | Deposit date: | 2021-07-15 | Release date: | 2021-09-15 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure-based classification of tauopathies. Nature, 598, 2021
|
|
6NQV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nqv by Molmil](/molmil-images/mine/6nqv) | Crystal structure of fast switching M159T mutant of fluorescent protein Dronpa (Dronpa2), Y63(3-CH3Y) | Descriptor: | Fluorescent protein Dronpa | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | Deposit date: | 2019-01-22 | Release date: | 2019-06-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Electrostatic control of photoisomerization pathways in proteins. Science, 367, 2020
|
|
7U21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u21 by Molmil](/molmil-images/mine/7u21) | Human Class I MHC HLA-A2 in complex with AVGSYVYSV peptide | Descriptor: | Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ... | Authors: | Weiss, L.I, Baker, B.M. | Deposit date: | 2022-02-22 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Physicochemical Heuristics for Identifying High Fidelity, Near-Native Structural Models of Peptide/MHC Complexes. Front Immunol, 13, 2022
|
|
6NQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nqk by Molmil](/molmil-images/mine/6nqk) | Crystal structure of fast switching M159T mutant of fluorescent protein Dronpa (Dronpa2), Y63(3-FY) | Descriptor: | Fluorescent protein Dronpa | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | Deposit date: | 2019-01-21 | Release date: | 2019-06-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Electrostatic control of photoisomerization pathways in proteins. Science, 367, 2020
|
|
8RBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rbx by Molmil](/molmil-images/mine/8rbx) | Structure of Integrator-PP2A bound to a paused RNA polymerase II-DSIF-NELF-nucleosome complex | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Fianu, I, Ochmann, M, Walshe, J.L, Cramer, P. | Deposit date: | 2023-12-05 | Release date: | 2024-02-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis of Integrator-dependent RNA polymerase II termination. Nature, 629, 2024
|
|