1INQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1inq by Molmil](/molmil-images/mine/1inq) | Structure of Minor Histocompatibility Antigen peptide, H13a, complexed to H2-Db | Descriptor: | BETA-2 MICROGLOBULIN, DIMETHYL SULFOXIDE, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Ostrov, D.A, Roden, M.M, Shi, W, Palmieri, E, Christianson, G.J, Mendoza, L, Villaflor, G, Tilley, D, Shastri, N, Grey, H, Almo, S.C, Roopenian, D, Nathenson, S.G. | Deposit date: | 2001-05-14 | Release date: | 2002-03-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How H13 histocompatibility peptides differing by a single methyl group and lacking conventional MHC binding anchor motifs determine self-nonself discrimination. J.Immunol., 168, 2002
|
|
7PII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pii by Molmil](/molmil-images/mine/7pii) | Structure of the human CCAN CENP-A alpha-satellite complex | Descriptor: | Centromere protein C, DNA (122-MER), DNA (123-MER), ... | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Barford, D. | Deposit date: | 2021-08-19 | Release date: | 2022-05-25 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome. Science, 376, 2022
|
|
4D0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d0w by Molmil](/molmil-images/mine/4d0w) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-04-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
|
|
7ZA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7za2 by Molmil](/molmil-images/mine/7za2) | GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4.6 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
|
|
7N8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n8h by Molmil](/molmil-images/mine/7n8h) | |
4D1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d1s by Molmil](/molmil-images/mine/4d1s) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-05-05 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
|
|
1IH8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ih8 by Molmil](/molmil-images/mine/1ih8) | NH3-dependent NAD+ Synthetase from Bacillus subtilis Complexed with AMP-CPP and Mg2+ ions. | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) synthetase | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Jedrzejas, M, Brouillette, C, Brouillette, W, Muccio, D, Chattopadhyay, D, DeLucas, L. | Deposit date: | 2001-04-18 | Release date: | 2001-06-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis. Acta Crystallogr.,Sect.D, 57, 2001
|
|
4D0X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d0x by Molmil](/molmil-images/mine/4d0x) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-04-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
|
|
7PDA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pda by Molmil](/molmil-images/mine/7pda) | Crystal structure of Phenazine 1-carboxylic acid decarboxylase from Mycobacterium fortuitum | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, MANGANESE (II) ION, SODIUM ION, ... | Authors: | Gahloth, D, Leys, D. | Deposit date: | 2021-08-05 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of Phenazine 1-carboxylic acid decarboxylase from Mycobacterium fortuitum To Be Published
|
|
5IA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ia4 by Molmil](/molmil-images/mine/5ia4) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880) | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
|
|
5I9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i9u by Molmil](/molmil-images/mine/5i9u) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.889 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
|
|
5IQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iq5 by Molmil](/molmil-images/mine/5iq5) | NMR solution structure of Mayaro virus macro domain | Descriptor: | Macro domain | Authors: | Melekis, E, Tsika, A.C, Bentrop, D, Papageorgiou, N, Coutard, B, Spyroulias, G.A. | Deposit date: | 2016-03-10 | Release date: | 2017-12-20 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Deciphering the Nucleotide and RNA Binding Selectivity of the Mayaro Virus Macro Domain. J.Mol.Biol., 431, 2019
|
|
329D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 329d by Molmil](/molmil-images/mine/329d) | |
7PQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pqt by Molmil](/molmil-images/mine/7pqt) | Apo human Kv3.1 cryo-EM structure | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | Authors: | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | Deposit date: | 2021-09-20 | Release date: | 2022-08-17 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators. Pnas Nexus, 1, 2022
|
|
7PQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pqu by Molmil](/molmil-images/mine/7pqu) | Ligand-bound human Kv3.1 cryo-EM structure (Lu AG00563) | Descriptor: | 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | Authors: | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | Deposit date: | 2021-09-20 | Release date: | 2022-08-17 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators. Pnas Nexus, 1, 2022
|
|
1N90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n90 by Molmil](/molmil-images/mine/1n90) | |
1NCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ncs by Molmil](/molmil-images/mine/1ncs) | NMR STUDY OF SWI5 ZINC FINGER DOMAIN 1 | Descriptor: | TRANSCRIPTIONAL FACTOR SWI5, ZINC ION | Authors: | Dutnall, R.N, Neuhaus, D, Rhodes, D. | Deposit date: | 1996-02-26 | Release date: | 1996-06-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of the first zinc finger domain of SWI5: a novel structural extension to a common fold. Structure, 4, 1996
|
|
7QO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qo7 by Molmil](/molmil-images/mine/7qo7) | SARS-CoV-2 S Omicron Spike B.1.1.529 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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: | Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D. | Deposit date: | 2021-12-23 | Release date: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Structural analysis of the Spike of the Omicron SARS-COV-2 variant by cryo-EM and implications for immune evasion Biorxiv, 2021
|
|
7QO9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qo9 by Molmil](/molmil-images/mine/7qo9) | SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD and NTD (Local) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,SARS-CoV-2 S Omicron Spike B.1.1.529, ... | Authors: | Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D. | Deposit date: | 2021-12-23 | Release date: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Structural analysis of the Spike of the Omicron SARS-COV-2 variant by cryo-EM and implications for immune evasion Biorxiv, 2021
|
|
5FO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fo2 by Molmil](/molmil-images/mine/5fo2) | Structure of human transthyretin mutant A108I | Descriptor: | TRANSTHYRETIN | Authors: | Varejao, N, Santanna, R, Saraiva, M.J, Gallego, P, Ventura, S, Reverter, D. | Deposit date: | 2015-11-17 | Release date: | 2016-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation. Sci Rep, 7, 2017
|
|
1XBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xbh by Molmil](/molmil-images/mine/1xbh) | A BETA-HAIRPIN MIMIC FROM FCERI-ALPHA-CYCLO(L-262) | Descriptor: | PROTEIN (CYCLO(L-262)) | Authors: | Mcdonnell, J.M, Fushman, D, Cahill, S.M, Sutton, B.J, Cowburn, D. | Deposit date: | 1999-02-17 | Release date: | 1999-02-21 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution Structures of FceRI Alpha-Chain Mimics: A Beta-Hairpin Peptide and Its Retroenantiomer J.Am.Chem.Soc., 119, 1997
|
|
5IO9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5io9 by Molmil](/molmil-images/mine/5io9) | X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN | Descriptor: | Neuronal migration protein doublecortin | Authors: | Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R. | Deposit date: | 2016-03-08 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies. J.Biol.Chem., 291, 2016
|
|
1K0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k0t by Molmil](/molmil-images/mine/1k0t) | NMR SOLUTION STRUCTURE OF UNBOUND, OXIDIZED PHOTOSYSTEM I SUBUNIT PSAC, CONTAINING [4FE-4S] CLUSTERS FA AND FB | Descriptor: | IRON/SULFUR CLUSTER, PSAC SUBUNIT OF PHOTOSYSTEM I | Authors: | Antonkine, M.L, Liu, G, Bentrop, D, Bryant, D.A, Bertini, I, Luchinat, C, Golbeck, J.H, Stehlik, D. | Deposit date: | 2001-09-20 | Release date: | 2002-06-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the unbound, oxidized Photosystem I subunit PsaC, containing [4Fe-4S] clusters F(A) and F(B): a conformational change occurs upon binding to photosystem I. J.Biol.Inorg.Chem., 7, 2002
|
|
1K2X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k2x by Molmil](/molmil-images/mine/1k2x) | |
1W60
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w60 by Molmil](/molmil-images/mine/1w60) | NATIVE HUMAN PCNA | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN | Authors: | Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M. | Deposit date: | 2004-08-11 | Release date: | 2005-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design Proc.Natl.Acad.Sci.USA, 102, 2005
|
|