6T5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t5o by Molmil](/molmil-images/mine/6t5o) | Bacteroides salyersiae GH164 beta-mannosidase | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, D(-)-TARTARIC ACID, ... | Authors: | Armstrong, Z, Davies, G. | Deposit date: | 2019-10-16 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure and function ofBs164 beta-mannosidase fromBacteroides salyersiaethe founding member of glycoside hydrolase family GH164. J.Biol.Chem., 295, 2020
|
|
8EEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eew by Molmil](/molmil-images/mine/8eew) | CryoEM of the soluble OPA1 dimer from the GDP-AlFx bound helical assembly on a lipid membrane | Descriptor: | Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E. | Deposit date: | 2022-09-07 | Release date: | 2023-06-28 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (5.48 Å) | Cite: | OPA1 helical structures give perspective to mitochondrial dysfunction. Nature, 620, 2023
|
|
6BXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bxy by Molmil](/molmil-images/mine/6bxy) | Menin in complex with MI-1481 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2017-12-19 | Release date: | 2018-11-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction. J.Med.Chem., 61, 2018
|
|
8EFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8efr by Molmil](/molmil-images/mine/8efr) | CryoEM of the soluble OPA1 interfaces with GDP-AlFx bound from the helical assembly on a lipid membrane | Descriptor: | Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E. | Deposit date: | 2022-09-09 | Release date: | 2023-06-28 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (5.48 Å) | Cite: | OPA1 helical structures give perspective to mitochondrial dysfunction. Nature, 620, 2023
|
|
5JRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jrq by Molmil](/molmil-images/mine/5jrq) | BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide, ... | Authors: | Grasso, M.J, Marmorstein, R. | Deposit date: | 2016-05-06 | Release date: | 2016-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.287 Å) | Cite: | Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation. Acs Chem.Biol., 11, 2016
|
|
4H01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h01 by Molmil](/molmil-images/mine/4h01) | The crystal structure of di-Zn dihydropyrimidinase from Tetraodon nigroviridis | Descriptor: | ZINC ION, dihydropyrimidinase | Authors: | Hsieh, Y.C, Chen, M.C, Hsu, C.C, Chan, S.I, Yang, Y.S, Chen, C.J. | Deposit date: | 2012-09-06 | Release date: | 2013-09-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lysine Carboxylation: Metal and Structural Requirements for Post-translational Modification To be Published
|
|
6HPU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hpu by Molmil](/molmil-images/mine/6hpu) | Crystal structure of human Pif1 helicase in complex with ADP-AlF4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, MAGNESIUM ION, ... | Authors: | Levdikov, V.M, Dehghani-Tafti, S, Bax, B.D, Sanders, C.M, Antson, A.A. | Deposit date: | 2018-09-21 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.96 Å) | Cite: | Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase. Nucleic Acids Res., 47, 2019
|
|
6TER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ter by Molmil](/molmil-images/mine/6ter) | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | Deposit date: | 2019-11-12 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides. Cell Chem Biol, 27, 2020
|
|
6HRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hrn by Molmil](/molmil-images/mine/6hrn) | C-Phycocyanin from heterocyst forming filamentous cyanobacterium Nostoc sp. WR13 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha Subunit of Cyanobacterial Phycocyanin protein, Beta Subunit of Cyanobacterial Phycocyanin protein, ... | Authors: | Patel, H.M, Roszak, A.W, Madamwar, D, Cogdell, R.J. | Deposit date: | 2018-09-27 | Release date: | 2019-06-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.513 Å) | Cite: | Crystal structure of phycocyanin from heterocyst-forming filamentous cyanobacterium Nostoc sp. WR13. Int.J.Biol.Macromol., 135, 2019
|
|
6WN2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wn2 by Molmil](/molmil-images/mine/6wn2) | |
6TIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tiv by Molmil](/molmil-images/mine/6tiv) | Crystal structure of the SVS_A2 protein (205-DREMH-209 /205-AQDLE-209 mutant) from ancestral sequence reconstruction at 2.38 A resolution | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SVS variant AT2, ... | Authors: | Rudraraju, R, Schnell, R, Schneider, G. | Deposit date: | 2019-11-22 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase. J.Am.Chem.Soc., 143, 2021
|
|
6WM6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wm6 by Molmil](/molmil-images/mine/6wm6) | Periplasmic EDTA-binding protein EppA, tetragonal | Descriptor: | 1,2-ETHANEDIOL, Extracellular solute-binding protein, family 5, ... | Authors: | Lewis, K.M, Sattler, S.A, Greene, C.L, Xun, L, Kang, C. | Deposit date: | 2020-04-20 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The Structural Basis of the Binding of Various Aminopolycarboxylates by the Periplasmic EDTA-Binding Protein EppA from Chelativorans sp. BNC1. Int J Mol Sci, 21, 2020
|
|
6HEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6heg by Molmil](/molmil-images/mine/6heg) | Crystal structure of Escherichia coli DEAH/RHA helicase HrpB | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase HrpB, PHOSPHATE ION, ... | Authors: | Xin, B.G, Chen, W.F, Rety, S, Dai, Y.X, Xi, X.G. | Deposit date: | 2018-08-20 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.019 Å) | Cite: | Crystal structure of Escherichia coli DEAH/RHA helicase HrpB. Biochem. Biophys. Res. Commun., 504, 2018
|
|
8F46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f46 by Molmil](/molmil-images/mine/8f46) | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead) | Descriptor: | 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-11-10 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
|
|
5L88
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l88 by Molmil](/molmil-images/mine/5l88) | AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSILATED, CRYSTAL FORM I, non-parsimonious model | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Anti-afamin antibody N14, Fab fragment, ... | Authors: | Rupp, B, Naschberger, A. | Deposit date: | 2016-06-07 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling. Acta Crystallogr D Struct Biol, 72, 2016
|
|
5L9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l9d by Molmil](/molmil-images/mine/5l9d) | AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSYLATED, CRYSTAL FORM I, parsimonious model | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rupp, B, Naschberger, A. | Deposit date: | 2016-06-10 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling. Acta Crystallogr D Struct Biol, 72, 2016
|
|
8F44
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f44 by Molmil](/molmil-images/mine/8f44) | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor | Descriptor: | (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-11-10 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
|
|
6TLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tla by Molmil](/molmil-images/mine/6tla) | CRYSTAL STRUCTURE OF LECTIN-LIKE OX-LDL RECEPTOR 1 (C 1 2 1) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Oxidized low-density lipoprotein receptor 1 | Authors: | Nar, H, Fiegen, D, Schnapp, G. | Deposit date: | 2019-12-02 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state Commun Chem, 2020
|
|
7FQJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fqj by Molmil](/molmil-images/mine/7fqj) | Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ehler, A, Benz, J, Bartels, B, Rudolph, M.G. | Deposit date: | 2022-10-05 | Release date: | 2023-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of a human Legumain complex To be published
|
|
6TPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tpn by Molmil](/molmil-images/mine/6tpn) | Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution | Descriptor: | 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, NITRATE ION, OLEIC ACID, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-13 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.608 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
|
|
6ARZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6arz by Molmil](/molmil-images/mine/6arz) | Structure of a phage anti-CRISPR protein | Descriptor: | BROMIDE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ... | Authors: | Calmettes, C, Shah, M, Pawluk, A, Davidson, A.R, Maxwell, K.L, Moraes, T.F. | Deposit date: | 2017-08-23 | Release date: | 2018-08-29 | Last modified: | 2019-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein. MBio, 8, 2017
|
|
6HPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hpe by Molmil](/molmil-images/mine/6hpe) | Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with the glutathione adduct of phenethyl-isothiocyanate | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Schwartz, M, Favier, F, Didierjean, C. | Deposit date: | 2018-09-20 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of Trametes versicolor glutathione transferase Omega 3S bound to its conjugation product glutathionyl-phenethylthiocarbamate reveals plasticity of its active site. Protein Sci., 28, 2019
|
|
6TT3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tt3 by Molmil](/molmil-images/mine/6tt3) | |
7UM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7um4 by Molmil](/molmil-images/mine/7um4) | Crystal structure of inactive 5-HT5AR in complex with AS2674723 | Descriptor: | 5-hydroxytryptamine receptor 5A, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Zhang, S, Roth, B.L. | Deposit date: | 2022-04-06 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
|
|
7UQ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uq0 by Molmil](/molmil-images/mine/7uq0) | Putative periplasmic iron siderophore binding protein FecB (Rv3044) from Mycobacterium tuberculosis | Descriptor: | CITRIC ACID, GLYCEROL, PENTAETHYLENE GLYCOL, ... | Authors: | Chao, A, Cuthbert, B.J, Goulding, C.W. | Deposit date: | 2022-04-18 | Release date: | 2022-10-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake. Plos Pathog., 19, 2023
|
|