6EZB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ezb by Molmil](/molmil-images/mine/6ezb) | Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain Q305K mutant | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, SULFATE ION, ... | Authors: | Bou-Nader, C, Bregeon, D, Pecqueur, L, Fontecave, M, Hamdane, D. | Deposit date: | 2017-11-14 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases. Biochemistry, 57, 2018
|
|
8OVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ovd by Molmil](/molmil-images/mine/8ovd) | Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M. | Deposit date: | 2023-04-25 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex. Nat Commun, 15, 2024
|
|
8OVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ovc by Molmil](/molmil-images/mine/8ovc) | Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M. | Deposit date: | 2023-04-25 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex. Nat Commun, 15, 2024
|
|
1RNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rnx by Molmil](/molmil-images/mine/1rnx) | RIBONUCLEASE A CRYSTALLIZED FROM 3M SODIUM CHLORIDE, 30% AMMONIUM SULFATE | Descriptor: | CHLORIDE ION, RIBONUCLEASE A | Authors: | Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, L, Sirakova, D, Graf, I, Almo, S.C. | Deposit date: | 1996-04-23 | Release date: | 1996-11-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
|
|
8AFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8afc by Molmil](/molmil-images/mine/8afc) | CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12 | Descriptor: | 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Boettcher, J, Kessler, D. | Deposit date: | 2022-07-16 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
|
|
8AFB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8afb by Molmil](/molmil-images/mine/8afb) | CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474) | Descriptor: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Boettcher, J, Kessler, D. | Deposit date: | 2022-07-16 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
|
|
8AFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8afd by Molmil](/molmil-images/mine/8afd) | CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a | Descriptor: | (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ... | Authors: | Boettcher, J, Kessler, D. | Deposit date: | 2022-07-16 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.633 Å) | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
|
|
8AXP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8axp by Molmil](/molmil-images/mine/8axp) | |
8B02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b02 by Molmil](/molmil-images/mine/8b02) | Crystal structure of the dsRBD domain of tRNA-dihydrouridine(20) synthase from Amphimedon queenslandica | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, DRBM domain-containing protein, ... | Authors: | Pecqueur, L, Faivre, B, Hamdane, D. | Deposit date: | 2022-09-07 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.676 Å) | Cite: | Evolutionary Diversity of Dus2 Enzymes Reveals Novel Structural and Functional Features among Members of the RNA Dihydrouridine Synthases Family. Biomolecules, 12, 2022
|
|
6EZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ezc by Molmil](/molmil-images/mine/6ezc) | Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K Q305K double mutant | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Bou-Nader, C, Bregeon, D, Vincent, G, Fontecave, M, Hamdane, D. | Deposit date: | 2017-11-14 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases. Biochemistry, 57, 2018
|
|
8ASY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8asy by Molmil](/molmil-images/mine/8asy) | SARS-CoV-2 Omicron BA.2.75 RBD in complex with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Zhou, D, Huo, J, Ren, J, Stuart, D.I. | Deposit date: | 2022-08-22 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A delicate balance between antibody evasion and ACE2 affinity for Omicron BA.2.75. Cell Rep, 42, 2022
|
|
6FFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ffz by Molmil](/molmil-images/mine/6ffz) | Crystal structure of R. ruber ADH-A, mutant F43H, Y54L | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | Deposit date: | 2018-01-09 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin. Biochemistry, 57, 2018
|
|
1WRS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wrs by Molmil](/molmil-images/mine/1wrs) | NMR STUDY OF HOLO TRP REPRESSOR | Descriptor: | HOLO TRP REPRESSOR, TRYPTOPHAN | Authors: | Zhao, D, Zheng, Z. | Deposit date: | 1995-05-12 | Release date: | 1996-06-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Refined solution structures of the Escherichia coli trp holo- and aporepressor. J.Mol.Biol., 229, 1993
|
|
1WRT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wrt by Molmil](/molmil-images/mine/1wrt) | NMR STUDY OF APO TRP REPRESSOR | Descriptor: | APO TRP REPRESSOR | Authors: | Zhao, D, Zheng, Z. | Deposit date: | 1995-05-12 | Release date: | 1996-06-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Refined solution structures of the Escherichia coli trp holo- and aporepressor. J.Mol.Biol., 229, 1993
|
|
5C1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c1e by Molmil](/molmil-images/mine/5c1e) | Crystal Structure of the Pectin Methylesterase from Aspergillus niger in Penultimately Deglycosylated Form (N-acetylglucosamine Stub at Asn84) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... | Authors: | Jameson, G.B, Williams, M.A.K, Loo, T.S, Kent, L.M, Melton, L.D, Mercadante, D. | Deposit date: | 2015-06-13 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Properties of a Non-processive, Salt-requiring, and Acidophilic Pectin Methylesterase from Aspergillus niger Provide Insights into the Key Determinants of Processivity Control. J.Biol.Chem., 291, 2016
|
|
7QO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qo3 by Molmil](/molmil-images/mine/7qo3) | Structure of the 26S proteasome-Ubp6 complex in the si state (Core Particle and Lid) | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ... | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | Deposit date: | 2021-12-23 | Release date: | 2022-04-13 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch. Nat Commun, 13, 2022
|
|
6TAZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6taz by Molmil](/molmil-images/mine/6taz) | Timeless couples G quadruplex detection with processing by DDX11 during DNA replication | Descriptor: | Protein timeless homolog | Authors: | Lerner Koch, L, Holzer, S, Kilkenny, M.L, Murat, P, Svikovic, S, Schiavone, D, Bittleston, A, Maman, J.D, Branzei, D, Stott, K, Pellegrini, L, Sale, E.J. | Deposit date: | 2019-10-31 | Release date: | 2020-07-01 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Timeless couples G-quadruplex detection with processing by DDX11 helicase during DNA replication. Embo J., 39, 2020
|
|
1XC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xc7 by Molmil](/molmil-images/mine/1xc7) | Binding of beta-D-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: Kinetic and crystallographic studies | Descriptor: | Glycogen phosphorylase, muscle form, N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Kosmopoulou, M.N, Kardakaris, R, Bischler, N, Leonidas, D.D, Kannan, T, Loganathan, D, Oikonomakos, N.G. | Deposit date: | 2004-09-01 | Release date: | 2005-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Binding of beta-d-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: kinetic and crystallographic studies Bioorg.Med.Chem., 13, 2005
|
|
6TLZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tlz by Molmil](/molmil-images/mine/6tlz) | N-Domain P40/P90 Mycoplasma pneumoniae complexed with 3'SL | Descriptor: | Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J. | Deposit date: | 2019-12-03 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae. Nat Commun, 11, 2020
|
|
1U9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u9c by Molmil](/molmil-images/mine/1u9c) | Crystallographic structure of APC35852 | Descriptor: | APC35852 | Authors: | Borek, D, Chen, Y, Shao, D, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-08-09 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural analysis of DJI superfamily To be Published
|
|
7QO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qo4 by Molmil](/molmil-images/mine/7qo4) | 26S proteasome WT-Ubp6-UbVS complex in the si state (ATPases, Rpn1, Ubp6, and UbVS) | Descriptor: | 26S proteasome regulatory subunit RPN1, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | Deposit date: | 2021-12-23 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch. Nat Commun, 13, 2022
|
|
6EUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eum by Molmil](/molmil-images/mine/6eum) | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | Descriptor: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-10-30 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|
1TY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ty4 by Molmil](/molmil-images/mine/1ty4) | Crystal structure of a CED-9/EGL-1 complex | Descriptor: | Apoptosis regulator ced-9, EGg Laying defective EGL-1, programmed cell death activator | Authors: | Yan, N, Gu, L, Kokel, D, Xue, D, Shi, Y. | Deposit date: | 2004-07-07 | Release date: | 2004-09-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural, Biochemical, and Functional Analyses of CED-9 Recognition by the Proapoptotic Proteins EGL-1 and CED-4 Mol.Cell, 15, 2004
|
|
6EWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ewe by Molmil](/molmil-images/mine/6ewe) | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | Descriptor: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-11-03 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|
7TPR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tpr by Molmil](/molmil-images/mine/7tpr) | Camel nanobodies 7A3 and 8A2 broadly neutralize SARS-CoV-2 variants | Descriptor: | Nanobody 7A3, Nanobody 8A2, Spike glycoprotein | Authors: | Butay, K.J, Zhu, J, Dandey, V.P, Hong, J, Kwon, H.J, Chen, C.Z, Duan, Z, Li, D, Ren, H, Liang, T, Martin, N, Esposito, D, Ortega-Rodriguez, U, Xu, M, Xie, H, Ho, M, Cachau, R, Borgnia, M.J. | Deposit date: | 2022-01-25 | Release date: | 2022-04-20 | Method: | ELECTRON MICROSCOPY (2.39 Å) | Cite: | Camel nanobodies broadly neutralize SARS-CoV-2 variants bioRxiv, 2021
|
|