7QYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qyk by Molmil](/molmil-images/mine/7qyk) | ATAD2 in complex with FragLite18 | Descriptor: | (4-bromanylpyridin-2-yl)methanol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-01-28 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
7APY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7apy by Molmil](/molmil-images/mine/7apy) | Pseudomonas stutzeri nitrous oxide reductase mutant, D576A | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-10-20 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.778 Å) | Cite: | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
|
|
7QOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qog by Molmil](/molmil-images/mine/7qog) | Portal protein assembly of the phicrAss001 virion with C12 symmetry imposed | Descriptor: | Cargo protein 1 gp45, Portal protein gp20, Ring protein 1 gp43, ... | Authors: | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | Deposit date: | 2021-12-24 | Release date: | 2023-03-29 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Structural atlas of a human gut crassvirus. Nature, 617, 2023
|
|
7B3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b3j by Molmil](/molmil-images/mine/7b3j) | Dynamic complex between all-D-enantiomeric peptide D3 with wild-type amyloid precursor protein 672-726 fragment (amyloid beta 1-55) | Descriptor: | D3 all D-enantimeric peptide, Isoform L-APP677 of Amyloid-beta precursor protein | Authors: | Bocharov, E.V, Volynsky, P.E, Okhrimenko, I.S, Urban, A.S. | Deposit date: | 2020-12-01 | Release date: | 2021-01-13 | Last modified: | 2021-12-08 | Method: | SOLUTION NMR | Cite: | All - d - Enantiomeric Peptide D3 Designed for Alzheimer's Disease Treatment Dynamically Interacts with Membrane-Bound Amyloid-beta Precursors. J.Med.Chem., 64, 2021
|
|
7AQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aqa by Molmil](/molmil-images/mine/7aqa) | Pseudomonas stutzeri nitrous oxide reductase mutant, H382A | Descriptor: | (dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-10-20 | Release date: | 2021-01-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
|
|
6HK5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hk5 by Molmil](/molmil-images/mine/6hk5) | X-ray structure of a truncated mutant of the metallochaperone CooJ with a high-affinity nickel-binding site | Descriptor: | 3,3',3''-phosphoryltripropanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Alfano, M, Perard, J, Basset, C, Carpentier, P, Zambelli, B, Timm, J, Crouzy, S, Ciurli, S, Cavazza, C. | Deposit date: | 2018-09-05 | Release date: | 2019-03-27 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.042 Å) | Cite: | The carbon monoxide dehydrogenase accessory protein CooJ is a histidine-rich multidomain dimer containing an unexpected Ni(II)-binding site. J.Biol.Chem., 294, 2019
|
|
7QOK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qok by Molmil](/molmil-images/mine/7qok) | Tail muzzle assembly of the phicrAss001 virion with C6 symmetry imposed | Descriptor: | MAGNESIUM ION, Muzzle bound helix, Muzzle protein gp44, ... | Authors: | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | Deposit date: | 2021-12-24 | Release date: | 2023-03-29 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Structural atlas of a human gut crassvirus. Nature, 617, 2023
|
|
4Y9R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y9r by Molmil](/molmil-images/mine/4y9r) | rat CYPOR mutant - G141del | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Xia, C, Kim, J.J.P. | Deposit date: | 2015-02-17 | Release date: | 2016-03-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone. J.Biol.Chem., 291, 2016
|
|
8R3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r3d by Molmil](/molmil-images/mine/8r3d) | Crystal structure of Pent only at pH 8.8 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller | Authors: | Flood, R.J, Crowley, P.B. | Deposit date: | 2023-11-08 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Multivalent Calixarene Complexation of a Designed Pentameric Lectin. Biomacromolecules, 25, 2024
|
|
8R18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r18 by Molmil](/molmil-images/mine/8r18) | Pim1 in complex with (E)-4-(4-hydroxystyryl)benzoic acid and Pimtide | Descriptor: | (E)-4-(4-hydroxystyryl)benzoic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2023-11-01 | Release date: | 2024-03-20 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors. Arch Pharm, 357, 2024
|
|
8R1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r1t by Molmil](/molmil-images/mine/8r1t) | Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide | Descriptor: | 4-(4-aminophenethyl)benzoic acid, GLYCEROL, Pimtide, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2023-11-02 | Release date: | 2024-03-20 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors. Arch Pharm, 357, 2024
|
|
4YEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yee by Molmil](/molmil-images/mine/4yee) | beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclodextrin | Descriptor: | 5'-AMP-activated protein kinase subunit beta-2, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose, GLYCEROL | Authors: | Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M. | Deposit date: | 2015-02-24 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase. Biochem.J., 468, 2015
|
|
4YFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yfk by Molmil](/molmil-images/mine/4yfk) | Escherichia coli RNA polymerase in complex with squaramide compound 8. | Descriptor: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | Deposit date: | 2015-02-25 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.571 Å) | Cite: | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein. J.Med.Chem., 58, 2015
|
|
4YHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yhp by Molmil](/molmil-images/mine/4yhp) | Crystal structure of 309M3-B Fab in complex with H3K9me3 peptide | Descriptor: | Fab Heavy Chain, Fab Light Chain, H3K9me3 peptide | Authors: | Hattori, T, Dementieva, I.S, Montano, S.P, Koide, S. | Deposit date: | 2015-02-27 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Antigen clasping by two antigen-binding sites of an exceptionally specific antibody for histone methylation. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
2XC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xc3 by Molmil](/molmil-images/mine/2xc3) | X-ray structure of Mycobacterium tuberculosis cyp125 bound to the reverse type I inhibitor | Descriptor: | NALPHA-[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]-N-PYRIDIN-4-YL-D-TRYPTOPHANAMIDE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 125 | Authors: | Ouellet, H, Kells, P.M, Ortiz de Montellano, P.R, Podust, L.M. | Deposit date: | 2010-04-16 | Release date: | 2010-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Reverse Type I Inhibitor of Mycobacteriumtuberculosis Cyp125A1. Bioorg.Med.Chem.Lett., 21, 2011
|
|
2XCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xcs by Molmil](/molmil-images/mine/2xcs) | The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA | Descriptor: | 5'-5UA*D(GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP *CP*TP*AP*CP*GP*GP*CP*T)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, DNA GYRASE SUBUNIT B, ... | Authors: | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | Deposit date: | 2010-04-25 | Release date: | 2010-08-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
|
|
8R7G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r7g by Molmil](/molmil-images/mine/8r7g) | Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | Descriptor: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | Authors: | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | Deposit date: | 2023-11-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
|
|
7QQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qqb by Molmil](/molmil-images/mine/7qqb) | Crystal structure of the envelope glycoprotein complex of Puumala virus in complex with the scFv fragment of the broadly neutralizing human antibody ADI-42898 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, GLYCEROL, ... | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | Deposit date: | 2022-01-07 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and mechanistic basis of neutralization by a pan-hantavirus protective antibody. Sci Transl Med, 15, 2023
|
|
3J3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3j3q by Molmil](/molmil-images/mine/3j3q) | |
2XFE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xfe by Molmil](/molmil-images/mine/2xfe) | vCBM60 in complex with galactobiose | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING MODULE, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D.P, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-05-21 | Release date: | 2010-06-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules. J.Biol.Chem., 285, 2010
|
|
2XFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xfk by Molmil](/molmil-images/mine/2xfk) | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide | Descriptor: | BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2010-05-24 | Release date: | 2010-07-07 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296 Bioorg.Med.Chem.Lett., 20, 2010
|
|
8RQP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rqp by Molmil](/molmil-images/mine/8rqp) | In meso structure of the alginate exporter, AlgE, from Pseudomonas aeruginosa in 7.10 monoacylglycerol | Descriptor: | 7.10 monoacylglycerol (R-form), 7.10 monoacylglycerol (S-form), Alginate production protein AlgE, ... | Authors: | Smithers, L, Boland, C, Krawinski, P, Caffrey, M. | Deposit date: | 2024-01-19 | Release date: | 2024-04-03 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins. Cryst.Growth Des., 24, 2024
|
|
8RQR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rqr by Molmil](/molmil-images/mine/8rqr) | In meso structure of apolipoprotein N-acyltransferase, Lnt, from Escherichia coli in 7.10 monoacylglycerol | Descriptor: | 7.10 monoacylglycerol (S-form), Apolipoprotein N-acyltransferase, GLYCEROL | Authors: | Smithers, L, Boland, C, Krawinski, P, Caffrey, M. | Deposit date: | 2024-01-19 | Release date: | 2024-04-03 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | 7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins. Cryst.Growth Des., 24, 2024
|
|
8RQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rqq by Molmil](/molmil-images/mine/8rqq) | In meso structure of the adenosine A2a G protein-coupled receptor, A2aR, in 7.10 monoacylglycerol | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, 7.10 monoacylglycerol (R-form), 7.10 monoacylglycerol (S-form), ... | Authors: | Smithers, L, Krawinski, P, Caffrey, M. | Deposit date: | 2024-01-19 | Release date: | 2024-04-03 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | 7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins. Cryst.Growth Des., 24, 2024
|
|
2V3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v3q by Molmil](/molmil-images/mine/2v3q) | Serendipitous discovery and X-ray structure of a human phosphate binding apolipoprotein | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, HUMAN PHOSPHATE BINDING PROTEIN, ... | Authors: | Morales, R, Berna, A, Carpentier, P, Elias, M, Contreras-Martel, C, Renault, F, Nicodeme, M, Chesne-Seck, M.-L, Bernier, F, Dupuy, J, Schaeffer, C, Diemer, H, Van Dorsselaer, A, Fontecilla, J.C, Masson, P, Rochu, D, Chabriere, E. | Deposit date: | 2007-06-20 | Release date: | 2008-07-22 | Last modified: | 2016-01-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Tandem Use of X-Ray Crystallography and Mass Spectrometry to Obtain Ab Initio the Complete and Exact Amino Acids Sequence of Hpbp, a Human 38kDa Apolipoprotein Proteins: Struct., Funct., Bioinf., 71, 2008
|
|