7ML9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ml9 by Molmil](/molmil-images/mine/7ml9) | The Mpp75Aa1.1 beta-pore-forming protein from Brevibacillus laterosporus | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ... | Authors: | Rydel, T.J, Zheng, M, Evdokimov, A. | Deposit date: | 2021-04-27 | Release date: | 2021-05-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural and functional characterization of Mpp75Aa1.1, a putative beta-pore forming protein from Brevibacillus laterosporus active against the western corn rootworm. Plos One, 16, 2021
|
|
4MXF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mxf by Molmil](/molmil-images/mine/4mxf) | |
7MHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mhf by Molmil](/molmil-images/mine/7mhf) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
|
|
7MHG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mhg by Molmil](/molmil-images/mine/7mhg) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 240 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5302 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
|
|
7MMO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mmo by Molmil](/molmil-images/mine/7mmo) | LY-CoV1404 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2021-04-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.427 Å) | Cite: | LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants. Biorxiv, 2022
|
|
3DL2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dl2 by Molmil](/molmil-images/mine/3dl2) | Hexagonal structure of the LDH domain of Human Ubiquitin-conjugating Enzyme E2-like Isoform A | Descriptor: | PHOSPHATE ION, SODIUM ION, Ubiquitin-conjugating enzyme E2 variant 3 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-06-26 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Investigation Into the L-Lactate Dehydrogenase Domain of Human Ubiquitin-Conjugating Enzyme E2-Like Isoform A. To be Published
|
|
3N9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n9x by Molmil](/molmil-images/mine/3n9x) | Crystal structure of Map Kinase from plasmodium berghei, PB000659.00.0 | Descriptor: | GLYCEROL, Phosphotransferase | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, MacKenzie, F, Kozieradzki, I, Chau, I, Lew, J, Senisterra, G, Artz, J, Amani, M, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-31 | Release date: | 2010-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of Map Kinase from plasmodium berghei, PB000659.00.0 To be Published
|
|
2W4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w4l by Molmil](/molmil-images/mine/2w4l) | Human dCMP deaminase | Descriptor: | CHLORIDE ION, DEOXYCYTIDYLATE DEAMINASE, ZINC ION | Authors: | Siponen, M.I, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schuler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Nordlund, P. | Deposit date: | 2008-11-28 | Release date: | 2009-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of Human Dcmp Deaminase To be Published
|
|
4N8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n8p by Molmil](/molmil-images/mine/4n8p) | Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Uncharacterized protein | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-10-17 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711] to be published
|
|
2V97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v97 by Molmil](/molmil-images/mine/2v97) | Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine after a 9 seconds annealing to room temperature | Descriptor: | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | Deposit date: | 2007-08-22 | Release date: | 2007-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography Acta Crystallogr.,Sect.D, 63, 2007
|
|
2V2F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v2f by Molmil](/molmil-images/mine/2v2f) | Crystal structure of PBP1a from drug-resistant strain 5204 from Streptococcus pneumoniae | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BARIUM ION, PENICILLIN BINDING PROTEIN 1A | Authors: | Job, V, Carapito, R, Vernet, T, Dideberg, O, Dessen, A, Zapun, A. | Deposit date: | 2007-06-05 | Release date: | 2007-12-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Common Alterations in Pbp1A from Resistant Streptococcus Pneumoniae Decrease its Reactivity Toward {Beta}-Lactams: Structural Insights. J.Biol.Chem., 283, 2008
|
|
2I6R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i6r by Molmil](/molmil-images/mine/2i6r) | Crystal structure of E. coli HypE, a hydrogenase maturation protein | Descriptor: | HypE protein | Authors: | Rangarajan, E.S, Proteau, A, Iannuzzi, P, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2006-08-29 | Release date: | 2007-10-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure of [NiFe] hydrogenase maturation protein HypE from Escherichia coli and its interaction with HypF. J.Bacteriol., 190, 2008
|
|
3NG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ng6 by Molmil](/molmil-images/mine/3ng6) | The crystal structure of hemoglobin I from Trematomus newnesi in deoxygenated state obtained through an oxidation/reduction cycle in which potassium hexacyanoferrate and sodium dithionite were alternatively added | Descriptor: | Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L. | Deposit date: | 2010-06-11 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An order-disorder transition plays a role in switching off the root effect in fish hemoglobins. J.Biol.Chem., 285, 2010
|
|
7R4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r4u by Molmil](/molmil-images/mine/7r4u) | Apoform of FtrA/P19 from Rubrivivax gelatinosus | Descriptor: | FtrA-P19, GLYCEROL, SODIUM ION, ... | Authors: | Morera, S, Vigouroux, A, Plancqueel, S. | Deposit date: | 2022-02-09 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens. Febs J., 289, 2022
|
|
2OC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oc7 by Molmil](/molmil-images/mine/2oc7) | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
|
|
7ZVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zvc by Molmil](/molmil-images/mine/7zvc) | Second crystal form of the mature glutamic-class prolyl-endopeptidase neprosin at 1.85 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal peptidase, GLY-GLY-GLY-GLY, ... | Authors: | Rodriguez-Banqueri, A, Eckhard, U, Del Amo-Maestro, L, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2022-05-14 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy. Nat Commun, 13, 2022
|
|
7ZVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zva by Molmil](/molmil-images/mine/7zva) | Crystal Structure of the native zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 1.80 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C-terminal peptidase, ... | Authors: | Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2022-05-14 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy. Nat Commun, 13, 2022
|
|
5J4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j4l by Molmil](/molmil-images/mine/5j4l) | Apo-structure of humanised RadA-mutant humRadA22F | Descriptor: | CHLORIDE ION, DNA repair and recombination protein RadA | Authors: | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2016-04-01 | Release date: | 2016-10-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
|
|
7R3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r3p by Molmil](/molmil-images/mine/7r3p) | |
7R4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r4z by Molmil](/molmil-images/mine/7r4z) | |
7ZU8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zu8 by Molmil](/molmil-images/mine/7zu8) | Crystal Structure of the zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 2.05 A resolution in presence of the crystallophore Lu-Xo4. | Descriptor: | 12-oxidanyl-9,11$l^{3}-dioxa-1$l^{4},19$l^{4},22,27$l^{4},28$l^{4}-pentaza-10$l^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1,10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28),11,13,15,17(27)-heptaen-8-one, 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: | Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2022-05-11 | Release date: | 2022-08-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy. Nat Commun, 13, 2022
|
|
2HZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hzr by Molmil](/molmil-images/mine/2hzr) | Crystal structure of human apolipoprotein D (ApoD) | Descriptor: | Apolipoprotein D | Authors: | Eichinger, A, Skerra, A. | Deposit date: | 2006-08-09 | Release date: | 2007-08-14 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insight into the dual ligand specificity and mode of high density lipoprotein association of apolipoprotein d. J.Biol.Chem., 282, 2007
|
|
7R5E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r5e by Molmil](/molmil-images/mine/7r5e) | |
4MQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mqt by Molmil](/molmil-images/mine/4mqt) | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator LY2119620 | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, ... | Authors: | Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K. | Deposit date: | 2013-09-16 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Activation and allosteric modulation of a muscarinic acetylcholine receptor. Nature, 504, 2013
|
|
7R5P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r5p by Molmil](/molmil-images/mine/7r5p) | |