7RE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7re2 by Molmil](/molmil-images/mine/7re2) | SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | Deposit date: | 2021-07-12 | Release date: | 2021-12-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex. Nat.Struct.Mol.Biol., 29, 2022
|
|
6XVJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xvj by Molmil](/molmil-images/mine/6xvj) | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-22 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
|
|
7ZP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zp8 by Molmil](/molmil-images/mine/7zp8) | 70S E. coli ribosome with a stalled filamin domain 5 nascent chain | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Mitropoulou, A, Plessa, E, Wlodarski, T, Ahn, M, Chan, S.H.S, Becker, T.A, Beckmann, R, Cabrita, L.D, Christodoulou, J. | Deposit date: | 2022-04-26 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Modulating co-translational protein folding by rational design and ribosome engineering. Nat Commun, 13, 2022
|
|
7ZQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zq6 by Molmil](/molmil-images/mine/7zq6) | 70S E. coli ribosome with truncated uL23 and uL24 loops and a stalled filamin domain 5 nascent chain | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Mitropoulou, A, Wlodarski, T, Ahn, M, Becker, T.A, Beckmann, R, Cabrita, L.D, Christodoulou, J. | Deposit date: | 2022-04-29 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Modulating co-translational protein folding by rational design and ribosome engineering. Nat Commun, 13, 2022
|
|
7RDY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rdy by Molmil](/molmil-images/mine/7rdy) | SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | Deposit date: | 2021-07-12 | Release date: | 2021-12-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex. Nat.Struct.Mol.Biol., 29, 2022
|
|
6QAV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qav by Molmil](/molmil-images/mine/6qav) | Crystal structure of ULK2 in complexed with MRT68921 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SODIUM ION, ... | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-19 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem.J., 476, 2019
|
|
6WMO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wmo by Molmil](/molmil-images/mine/6wmo) | |
7ZOD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zod by Molmil](/molmil-images/mine/7zod) | 70S E. coli ribosome with an extended uL23 loop from Candidatus marinimicrobia | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Mitropoulou, A, Plessa, E, Wlodarski, T, Ahn, M, Sidhu, H, Becker, T.A, Beckmann, R, Cabrita, L.D, Christodoulou, J. | Deposit date: | 2022-04-25 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Modulating co-translational protein folding by rational design and ribosome engineering. Nat Commun, 13, 2022
|
|
6XRK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xrk by Molmil](/molmil-images/mine/6xrk) | GH5-4 broad specificity endoglucanase from an uncultured bovine rumen ciliate | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2020-07-13 | Release date: | 2020-10-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
|
|
6NET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6net by Molmil](/molmil-images/mine/6net) | FAD-dependent monooxygenase TropB from T. stipitatus substrate complex | Descriptor: | 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ... | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | Deposit date: | 2018-12-18 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization. Acs Catalysis, 9, 2019
|
|
6Z2C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z2c by Molmil](/molmil-images/mine/6z2c) | Engineered lipocalin C3A5 in complex with a transition state analog | Descriptor: | 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, Neutrophil gelatinase-associated lipocalin | Authors: | Skerra, A, Eichinger, A. | Deposit date: | 2020-05-15 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of an engineered lipocalin that catalyzes a Diels-Alder reaction To be published
|
|
8QKY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qky by Molmil](/molmil-images/mine/8qky) | Bacteriophage T5 dUTPase | Descriptor: | Deoxyuridine 5'-triphosphate nucleotidohydrolase, GLYCEROL | Authors: | Gabdulkhakov, A.G, Dzhus, U.F, Selikhanov, G.K, Glukhov, A.S. | Deposit date: | 2023-09-18 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bacteriophage T5 dUTPase: Combination of Common Enzymatic and Novel Functions. Int J Mol Sci, 25, 2024
|
|
5N7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n7c by Molmil](/molmil-images/mine/5n7c) | Human TTR altered conformation from soaking in CuCl2. | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COPPER (II) ION, ... | Authors: | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | Deposit date: | 2017-02-20 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Copper mediated amyloid-beta binding to Transthyretin. Sci Rep, 8, 2018
|
|
7RT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rt1 by Molmil](/molmil-images/mine/7rt1) | Crystal Structure of KRAS G12D with compound 15 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | Descriptor: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | Deposit date: | 2021-08-12 | Release date: | 2021-12-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
|
|
7ZQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zq5 by Molmil](/molmil-images/mine/7zq5) | 70S E. coli ribosome with truncated uL23 and uL24 loops | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Mitropoulou, A, Wlodarski, T, Ahn, M, Becker, T.A, Beckmann, R, Cabrita, L.D, Christodoulou, J. | Deposit date: | 2022-04-29 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Modulating co-translational protein folding by rational design and ribosome engineering. Nat Commun, 13, 2022
|
|
7RT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rt2 by Molmil](/molmil-images/mine/7rt2) | Crystal Structure of KRAS G12D with compound 25 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | Descriptor: | 1,2-ETHANEDIOL, 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GLYCEROL, ... | Authors: | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | Deposit date: | 2021-08-12 | Release date: | 2021-12-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
|
|
5N35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n35 by Molmil](/molmil-images/mine/5n35) | Gadolinium phased PBP2 (SSO6202) at 2.2 Ang | Descriptor: | GADOLINIUM ATOM, GLYCEROL, NITRATE ION, ... | Authors: | Yan, J, Beattie, T.R, Rojas, A.L, Schermerhorn, K, Gristwood, T, Trinidad, J.C, Albers, S.V, Roversi, P, Gardner, A.F, Abrescia, N.G.A, Bell, S.D. | Deposit date: | 2017-02-08 | Release date: | 2017-05-17 | Last modified: | 2017-12-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Identification and characterization of a heterotrimeric archaeal DNA polymerase holoenzyme. Nat Commun, 8, 2017
|
|
8GJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gjm by Molmil](/molmil-images/mine/8gjm) | 17b10 fab in complex with full-length SARS-CoV-2 Spike G614 trimer | 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-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | Deposit date: | 2023-03-16 | Release date: | 2023-04-05 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2. J Med Virol, 95, 2023
|
|
8QLD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qld by Molmil](/molmil-images/mine/8qld) | Bacteriophage T5 dUTPase mutant with loop deletion (30-35 aa) | Descriptor: | CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase, GLYCEROL, ... | Authors: | Gabdulkhakov, A.G, Dzhus, U.F, Selikhanov, G.K, Glukhov, A.S. | Deposit date: | 2023-09-19 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bacteriophage T5 dUTPase: Combination of Common Enzymatic and Novel Functions. Int J Mol Sci, 25, 2024
|
|
8VFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vfv by Molmil](/molmil-images/mine/8vfv) | HIV Env BG505_MD39_B16 SOSIP boosting trimer in complex with B16_d77.5 mouse Fab and RM20A3 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B16_d77.5 mouse Fab heavy chain Fv, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2023-12-22 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies. Science, 384, 2024
|
|
6Z49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z49 by Molmil](/molmil-images/mine/6z49) | Crystal structure of deubiquitinase Mindy2 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | Authors: | Abdul Rehman, S.A, Kulathu, Y. | Deposit date: | 2020-05-23 | Release date: | 2021-06-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2. Mol.Cell, 81, 2021
|
|
6Z3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z3s by Molmil](/molmil-images/mine/6z3s) | Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with O-Acetylserine | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Cystathionine beta-synthase | Authors: | Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2020-05-21 | Release date: | 2021-06-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.048 Å) | Cite: | Structural insight into the unique conformation of cystathionine beta-synthase from Toxoplasma gondii . Comput Struct Biotechnol J, 19, 2021
|
|
8RJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rjc by Molmil](/molmil-images/mine/8rjc) | |
6W1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w1w by Molmil](/molmil-images/mine/6w1w) | Crystal Structure of Motility Associated Killing Factor B from Vibrio cholerae | Descriptor: | 1,2-ETHANEDIOL, motility-associated killing factor MakB | Authors: | Kim, Y, Welk, L, Jedrzejczak, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-04 | Release date: | 2020-03-25 | Last modified: | 2022-07-13 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins. J.Bacteriol., 204, 2022
|
|
7OUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ouo by Molmil](/molmil-images/mine/7ouo) | Crystal structure of RNA duplex [UCGUGCGA]2 in complex with Ba2+ cation | Descriptor: | BARIUM ION, RNA (5'-R(*UP*CP*GP*UP*GP*CP*GP*A)-3') | Authors: | Ruszkowski, M, Mao, S, Zheng, Y.Y, Ruszkowska, A, Sheng, J. | Deposit date: | 2021-06-12 | Release date: | 2022-03-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.212 Å) | Cite: | Structural Insights Into the 5'UG/3'GU Wobble Tandem in Complex With Ba 2+ Cation. Front Mol Biosci, 8, 2021
|
|