5AC1
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![BU of 5ac1 by Molmil](/molmil-images/mine/5ac1) | Sheep aldehyde dehydrogenase 1A1 with duocarmycin analog inhibitor | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, RETINAL DEHYDROGENASE 1, ... | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | Deposit date: | 2015-08-11 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues. Angew.Chem.Int.Ed.Engl., 54, 2015
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7KI3
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2LEU
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![BU of 2leu by Molmil](/molmil-images/mine/2leu) | HIGH RESOLUTION 1H NMR STUDY OF LEUCOCIN A IN 90% AQUEOUS TRIFLUOROETHANOL (TFE) (0.1% TFA), 18 STRUCTURES | Descriptor: | LEUCOCIN A | Authors: | Gallagher, N.L.F, Sailer, M, Niemczura, W.P, Nakashima, T.T, Stiles, M.E, Vederas, J.C. | Deposit date: | 1997-05-20 | Release date: | 1997-11-26 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of leucocin A in trifluoroethanol and dodecylphosphocholine micelles: spatial location of residues critical for biological activity in type IIa bacteriocins from lactic acid bacteria. Biochemistry, 36, 1997
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1M79
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![BU of 1m79 by Molmil](/molmil-images/mine/1m79) | Candida albicans Dihydrofolate Reductase Complexed with Dihydro-Nicotinamide-Adenine-Dinucleotide Phosphate (NADPH) and 5-(4-methoxyphenoxy)-2,4-quinazolinediamine (GW1466) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2002-07-19 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex J.Biol.Chem., 272, 1997
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7LF6
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![BU of 7lf6 by Molmil](/molmil-images/mine/7lf6) | Structure of lysosomal membrane protein | Descriptor: | Endosomal/lysosomal potassium channel TMEM175 | Authors: | Shen, C, Fu, T.M, Wang, L.F, Rawson, S, Wu, H. | Deposit date: | 2021-01-15 | Release date: | 2022-01-26 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | pH regulates potassium conductance and drives a constitutive proton current in human TMEM175. Sci Adv, 8, 2022
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7MFV
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![BU of 7mfv by Molmil](/molmil-images/mine/7mfv) | Crystal structure of synthetic nanobody (Sb16) | Descriptor: | 1,2-ETHANEDIOL, Synthetic Nanobody #16 (Sb16) | Authors: | Jiang, J, Ahmad, J, Natarajan, K, Boyd, L.F, Margulies, D.H. | Deposit date: | 2021-04-11 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction. J.Biol.Chem., 297, 2021
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7MFU
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![BU of 7mfu by Molmil](/molmil-images/mine/7mfu) | Crystal structure of synthetic nanobody (Sb14+Sb68) complexes with SARS-CoV-2 receptor binding domain | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Spike protein S1, ... | Authors: | Jiang, J, Ahmad, J, Natarajan, K, Boyd, L.F, Margulies, D.H. | Deposit date: | 2021-04-11 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction. J.Biol.Chem., 297, 2021
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5FVD
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![BU of 5fvd by Molmil](/molmil-images/mine/5fvd) | Human metapneumovirus N0-P complex | Descriptor: | CHLORIDE ION, NUCLEOCAPSID, PHOSPHOPROTEIN | Authors: | Renner, M, Bertinelli, M, Leyrat, C, Paesen, G.C, Saraiva de Oliveira, L.F, Huiskonen, J.T, Grimes, J.M. | Deposit date: | 2016-02-05 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Nucleocapsid assembly in pneumoviruses is regulated by conformational switching of the N protein. Elife, 5, 2016
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2JMD
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![BU of 2jmd by Molmil](/molmil-images/mine/2jmd) | Solution Structure of the Ring Domain of Human TRAF6 | Descriptor: | TNF receptor-associated factor 6, ZINC ION | Authors: | Mercier, P, Lewis, M.J, Hau, D.D, Saltibus, L.F, Xiao, W, Spyracopoulos, L. | Deposit date: | 2006-11-02 | Release date: | 2007-04-10 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Structure, interactions, and dynamics of the RING domain from human TRAF6 Protein Sci., 16, 2007
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1M78
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![BU of 1m78 by Molmil](/molmil-images/mine/1m78) | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE (GW1225) | Descriptor: | 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2002-07-19 | Release date: | 2003-03-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex. J.Biol.Chem., 272, 1997
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1M7A
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![BU of 1m7a by Molmil](/molmil-images/mine/1m7a) | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f] quinazoline-1,3-diamine (GW557) | Descriptor: | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2002-07-19 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex. J.Biol.Chem., 272, 1997
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7MXI
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![BU of 7mxi by Molmil](/molmil-images/mine/7mxi) | IgE-Fc in complex with DARPins E2_79 and E3_53 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-IgE Inhibitor E2_79, DARPin E3_53, ... | Authors: | Pennington, L.F, Jardetzky, T.J. | Deposit date: | 2021-05-19 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-guided design of ultrapotent disruptive IgE inhibitors to rapidly terminate acute allergic reactions. J.Allergy Clin.Immunol., 148, 2021
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6FAM
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![BU of 6fam by Molmil](/molmil-images/mine/6fam) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-2-aminodeoxymannojirimycin | Descriptor: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose, ... | Authors: | Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. | Deposit date: | 2017-12-15 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases. Chemistry, 24, 2018
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5GRM
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![BU of 5grm by Molmil](/molmil-images/mine/5grm) | Crystal structure of rat STING in complex with cyclic GMP-AMP with 2'5'and 3'5'phosphodiester linkage(2'3'-cGAMP) | Descriptor: | Stimulator of interferon genes protein, cGAMP | Authors: | Zhang, H, Han, M.J, Tao, J.L, Ye, Z.Y, Du, X.X, Deng, M.J, Zhang, X.Y, Li, L.F, Jiang, Z.F, Su, X.D. | Deposit date: | 2016-08-11 | Release date: | 2017-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of rat STING in complex with cyclic GMP-AMP with 2'5'and 3'5'phosphodiester linkage(2'3'-cGAMP) To Be Published
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6F3K
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![BU of 6f3k by Molmil](/molmil-images/mine/6f3k) | Combined solid-state NMR, solution-state NMR and EM data for structure determination of the tetrahedral aminopeptidase TET2 from P. horikoshii | Descriptor: | Tetrahedral aminopeptidase, ZINC ION | Authors: | Gauto, D.F, Estrozi, L.F, Schwieters, C.D, Effantin, G, Macek, P, Sounier, R, Kerfah, R, Sivertsen, A.C, Colletier, J.P, Boisbouvier, J, Schoehn, G, Favier, A, Schanda, P. | Deposit date: | 2017-11-28 | Release date: | 2018-03-14 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (4.1 Å), SOLID-STATE NMR, SOLUTION NMR | Cite: | Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex. Nat Commun, 10, 2019
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6FAR
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![BU of 6far by Molmil](/molmil-images/mine/6far) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-mannoimidazole | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Glycosyl hydrolase family 71, alpha-D-mannopyranose | Authors: | Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. | Deposit date: | 2017-12-16 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases. Chemistry, 24, 2018
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2JQQ
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![BU of 2jqq by Molmil](/molmil-images/mine/2jqq) | Solution structure of Saccharomyces cerevisiae conserved oligomeric Golgi subunit 2 protein (Cog2p) | Descriptor: | Conserved oligomeric Golgi complex subunit 2 | Authors: | Cavanaugh, L.F, Chen, X, Pelczer, I, Rizo, J, Hughson, F.M. | Deposit date: | 2007-06-06 | Release date: | 2007-06-19 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Structural analysis of conserved oligomeric Golgi complex subunit 2 J.Biol.Chem., 282, 2007
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6F6R
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![BU of 6f6r by Molmil](/molmil-images/mine/6f6r) | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | Descriptor: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | Authors: | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | Deposit date: | 2017-12-06 | Release date: | 2018-05-02 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne. J. Med. Chem., 61, 2018
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5FVC
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![BU of 5fvc by Molmil](/molmil-images/mine/5fvc) | Structure of RNA-bound decameric HMPV nucleoprotein | Descriptor: | HMPV NUCLEOPROTEIN, RNA | Authors: | Renner, M, Bertinelli, M, Leyrat, C, Paesen, G.C, Saraiva de Oliveira, L.F, Huiskonen, J.T, Grimes, J.M. | Deposit date: | 2016-02-05 | Release date: | 2016-02-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (4.17 Å) | Cite: | Nucleocapsid assembly in pneumoviruses is regulated by conformational switching of the N protein. Elife, 5, 2016
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5FD2
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6FWJ
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![BU of 6fwj by Molmil](/molmil-images/mine/6fwj) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) and alpha-1,2-mannobiose | Descriptor: | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2018-03-06 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
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5GS5
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![BU of 5gs5 by Molmil](/molmil-images/mine/5gs5) | Crystal structure of apo rat STING | Descriptor: | SULFATE ION, Stimulator of interferon genes protein | Authors: | Zhang, H, Han, M.J, Tao, J.L, Ye, Z.Y, Du, X.X, Deng, M.J, Zhang, X.Y, Li, L.F, Jiang, Z.F, Su, X.D. | Deposit date: | 2016-08-13 | Release date: | 2017-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of apo ratSTING To Be Published
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2N34
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![BU of 2n34 by Molmil](/molmil-images/mine/2n34) | NMR assignments and solution structure of the JAK interaction region of SOCS5 | Descriptor: | Suppressor of cytokine signaling 5 | Authors: | Chandrashekaran, I.R, Mohanty, B, Linossi, E.M, Nicholson, S.E, Babon, J, Norton, R.S, Dagley, L.F, Leung, E.W.W, Murphy, J.M. | Deposit date: | 2015-05-21 | Release date: | 2015-07-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Functional Characterization of the Conserved JAK Interaction Region in the Intrinsically Disordered N-Terminus of SOCS5. Biochemistry, 54, 2015
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2KRH
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6IE2
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![BU of 6ie2 by Molmil](/molmil-images/mine/6ie2) | Crystal structure of methyladenine demethylase | Descriptor: | 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1 | Authors: | Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X. | Deposit date: | 2018-09-13 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1. Cell Res., 30, 2020
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