6G5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g5k by Molmil](/molmil-images/mine/6g5k) | Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1 | Descriptor: | Botulinum neurotoxin type B, Synaptotagmin-1 | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | Deposit date: | 2018-03-29 | Release date: | 2019-01-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
|
|
4LVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lvc by Molmil](/molmil-images/mine/4lvc) | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenosine | Descriptor: | ACETATE ION, ADENOSINE, AMMONIUM ION, ... | Authors: | Manszewski, T, Singh, K, Imiolczyk, B, Jaskolski, M. | Deposit date: | 2013-07-26 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii. Acta Crystallogr.,Sect.D, 71, 2015
|
|
6NZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nzd by Molmil](/molmil-images/mine/6nzd) | Cryo-EM Structure of the Lysosomal Folliculin Complex (FLCN-FNIP2-RagA-RagC-Ragulator) | Descriptor: | 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-L-arabinofuranosyl}-3,9-dihydro-1H-purine-2,6-dione, Folliculin, Folliculin-interacting protein 2, ... | Authors: | Fromm, S.A, Young, L.N, Hurley, J.H. | Deposit date: | 2019-02-13 | Release date: | 2019-11-06 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural mechanism of a Rag GTPase activation checkpoint by the lysosomal folliculin complex. Science, 366, 2019
|
|
6X4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x4o by Molmil](/molmil-images/mine/6x4o) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21) | Descriptor: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
|
|
6WOJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6woj by Molmil](/molmil-images/mine/6woj) | Structure of the SARS-CoV-2 macrodomain (NSP3) in complex with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Gao, F.P, Fehr, A.R. | Deposit date: | 2020-04-24 | Release date: | 2020-05-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The SARS-CoV-2 Conserved Macrodomain Is a Mono-ADP-Ribosylhydrolase. J.Virol., 95, 2021
|
|
6MNA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mna by Molmil](/molmil-images/mine/6mna) | |
5MRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mrm by Molmil](/molmil-images/mine/5mrm) | Arabidopsis thaliana IspD in complex with Isoxazole (4) | Descriptor: | 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ... | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | Deposit date: | 2016-12-23 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
|
|
5MRO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mro by Molmil](/molmil-images/mine/5mro) | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | Deposit date: | 2016-12-23 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
|
|
6JSH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jsh by Molmil](/molmil-images/mine/6jsh) | Apo-state Fatty Acid Synthase | Descriptor: | Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta | Authors: | Qiu, S.W, Liu, S. | Deposit date: | 2019-04-08 | Release date: | 2019-09-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5.1 Å) | Cite: | Modulation of fatty acid synthase by ATR checkpoint kinase Rad3. J Mol Cell Biol, 11, 2019
|
|
6UVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvr by Molmil](/molmil-images/mine/6uvr) | |
8VA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8va0 by Molmil](/molmil-images/mine/8va0) | X-ray crystal structure of JGFN4 N76D complexed with fentanyl in dimer form | Descriptor: | 1,2-ETHANEDIOL, JGFN4, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide, ... | Authors: | Shi, K, Moller, N, Aihara, H. | Deposit date: | 2023-12-10 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification and biophysical characterization of a novel domain-swapped camelid antibody specific for fentanyl. J.Biol.Chem., 300, 2024
|
|
8V9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v9x by Molmil](/molmil-images/mine/8v9x) | X-ray crystal structure of JGFN4 complex with fentanyl | Descriptor: | 1,2-ETHANEDIOL, JGFN4, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | Authors: | Moller, N, Shi, K, Aihara, H. | Deposit date: | 2023-12-10 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and biophysical characterization of a novel domain-swapped camelid antibody specific for fentanyl. J.Biol.Chem., 300, 2024
|
|
8V9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v9w by Molmil](/molmil-images/mine/8v9w) | X-ray crystal structure of JGFN4 complexed with fentanyl | Descriptor: | 1,2-ETHANEDIOL, JGFN4, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | Authors: | Moller, N, Shi, K, Aihara, H. | Deposit date: | 2023-12-10 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Identification and biophysical characterization of a novel domain-swapped camelid antibody specific for fentanyl. J.Biol.Chem., 300, 2024
|
|
8V9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v9z by Molmil](/molmil-images/mine/8v9z) | |
8UVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uvs by Molmil](/molmil-images/mine/8uvs) | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with spectinomycin derivative 2694, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.75A resolution | Descriptor: | (2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Killam, B.Y, Phelps, G.A, Lee, R.E, Polikanov, Y.S. | Deposit date: | 2023-11-03 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in Mycobacterium abscessus. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8V9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v9y by Molmil](/molmil-images/mine/8v9y) | |
8UVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uvr by Molmil](/molmil-images/mine/8uvr) | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with spectinomycin, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.60A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Killam, B.Y, Phelps, G.A, Lee, R.E, Polikanov, Y.S. | Deposit date: | 2023-11-03 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in Mycobacterium abscessus. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8VK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vk3 by Molmil](/molmil-images/mine/8vk3) | |
6EA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ea7 by Molmil](/molmil-images/mine/6ea7) | Structure of EBOV GPcl in complex with the pan-ebolavirus mAb ADI-15878 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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: | West, B.R, Moyer, C.L, King, L.B, Fusco, M.L, Milligan, J.C, Hui, S, Saphire, E.O. | Deposit date: | 2018-08-02 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.25 Å) | Cite: | Structural Basis of Pan-Ebolavirus Neutralization by a Human Antibody against a Conserved, yet Cryptic Epitope. MBio, 9, 2018
|
|
6X1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x1z by Molmil](/molmil-images/mine/6x1z) | Mre11 dimer in complex with small molecule modulator PFMJ | Descriptor: | (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | Deposit date: | 2020-05-19 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog.Biophys.Mol.Biol., 163, 2021
|
|
6EF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ef1 by Molmil](/molmil-images/mine/6ef1) | Yeast 26S proteasome bound to ubiquitinated substrate (5D motor state) | Descriptor: | 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, 26S proteasome regulatory subunit 6B homolog, ... | Authors: | de la Pena, A.H, Goodall, E.A, Gates, S.N, Lander, G.C, Martin, A. | Deposit date: | 2018-08-15 | Release date: | 2018-10-17 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.73 Å) | Cite: | Substrate-engaged 26Sproteasome structures reveal mechanisms for ATP-hydrolysis-driven translocation. Science, 362, 2018
|
|
6EJN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ejn by Molmil](/molmil-images/mine/6ejn) | |
5MRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mrp by Molmil](/molmil-images/mine/5mrp) | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2) | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | Deposit date: | 2016-12-23 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
|
|
6NZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nz0 by Molmil](/molmil-images/mine/6nz0) | Cryo-EM structure of AAV-2 in complex with AAVR PKD domains 1 and 2 | Descriptor: | Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein, MAGNESIUM ION | Authors: | Meyer, N.L, Xie, Q, Davulcu, O, Yoshioka, C, Chapman, M.S. | Deposit date: | 2019-02-12 | Release date: | 2019-06-12 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structure of the gene therapy vector, adeno-associated virus with its cell receptor, AAVR. Elife, 8, 2019
|
|
6NYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nyx by Molmil](/molmil-images/mine/6nyx) | |