1JAC
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![BU of 1jac by Molmil](/molmil-images/mine/1jac) | A NOVEL MODE OF CARBOHYDRATE RECOGNITION IN JACALIN, A MORACEAE PLANT LECTIN WITH A BETA-PRISM | Descriptor: | JACALIN, methyl alpha-D-galactopyranoside | Authors: | Sankaranarayanan, R, Sekar, K, Banerjee, R, Sharma, V, Surolia, A, Vijayan, M. | Deposit date: | 1996-05-22 | Release date: | 1997-06-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | A novel mode of carbohydrate recognition in jacalin, a Moraceae plant lectin with a beta-prism fold. Nat.Struct.Biol., 3, 1996
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2VFM
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![BU of 2vfm by Molmil](/molmil-images/mine/2vfm) | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666) | Descriptor: | BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, GLYCEROL, ... | Authors: | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | Deposit date: | 2007-11-05 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein To be Published
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7NW2
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![BU of 7nw2 by Molmil](/molmil-images/mine/7nw2) | Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium | Deposit date: | 2021-03-16 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor. Cell Chem Biol, 28, 2021
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8B6F
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![BU of 8b6f by Molmil](/molmil-images/mine/8b6f) | Cryo-EM structure of NADH:ubiquinone oxidoreductase (complex-I) from respiratory supercomplex of Tetrahymena thermophila | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ... | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | Deposit date: | 2022-09-27 | Release date: | 2023-03-29 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex. Nature, 615, 2023
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8B6H
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![BU of 8b6h by Molmil](/molmil-images/mine/8b6h) | Cryo-EM structure of cytochrome c oxidase dimer (complex IV) from respiratory supercomplex of Tetrahymena thermophila | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ... | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | Deposit date: | 2022-09-27 | Release date: | 2023-03-29 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex. Nature, 615, 2023
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8B6J
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![BU of 8b6j by Molmil](/molmil-images/mine/8b6j) | Cryo-EM structure of cytochrome bc1 complex (complex-III) from respiratory supercomplex of Tetrahymena thermophila | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apocytochrome b, ... | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | Deposit date: | 2022-09-27 | Release date: | 2023-03-29 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex. Nature, 615, 2023
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7DVO
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![BU of 7dvo by Molmil](/molmil-images/mine/7dvo) | Structure of Reaction Intermediate of Cytochrome P450 NO Reductase (P450nor) Determined by XFEL | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | Authors: | Nomura, T, Kimura, T, Kanematsu, Y, Yamashita, K, Hirata, K, Ueno, G, Murakami, H, Hisano, T, Yamagiwa, R, Takeda, H, Gopalasingam, C, Yuki, K, Kousaka, R, Yanagasawa, S, Shoji, O, Kumasaka, T, Takano, Y, Ago, H, Yamamoto, M, Sugimoto, H, Tosha, T, Kubo, M, Shiro, Y. | Deposit date: | 2021-01-14 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Short-lived intermediate in N 2 O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography. Proc.Natl.Acad.Sci.USA, 118, 2021
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2VF0
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![BU of 2vf0 by Molmil](/molmil-images/mine/2vf0) | CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH 5NO2DUMP AND BW1843U89 | Descriptor: | 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, SULFATE ION, ... | Authors: | Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R. | Deposit date: | 2007-10-27 | Release date: | 2007-12-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant. Int.J.Biochem.Cell Biol., 40, 2008
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4AQU
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![BU of 4aqu by Molmil](/molmil-images/mine/4aqu) | Crystal structure of I-CreI complexed with its target methylated at position plus 2 (in the b strand) in the presence of calcium | Descriptor: | 5'-D(*DCP*CP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*5CMP *GP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', 5'-D(*DTP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*DAP *GP*AP*CP*AP*GP*TP*TP*TP*GP*G)-3', CALCIUM ION, ... | Authors: | Valton, J, Daboussi, F, Leduc, S, Redondo, P, Macmaster, R, Molina, R, Montoya, G, Duchateau, P. | Deposit date: | 2012-04-19 | Release date: | 2012-07-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 5'-Cytosine-Phosphoguanine (Cpg) Methylation Impacts the Activity of Natural and Engineered Meganucleases. J.Biol.Chem., 287, 2012
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4ANP
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![BU of 4anp by Molmil](/molmil-images/mine/4anp) | Crystal structure of human phenylalanine hydroxylase in complex with a pharmacological chaperone | Descriptor: | 5,6-DIMETHYL-3-(4-METHYL-2-PYRIDINYL)-2-THIOXO-2,3-DIHYDROTHIENO[2,3- D]PYRIMIDIN-4(1H)-ONE, FE (III) ION, PHENYLALANINE-4-HYDROXYLASE | Authors: | Torreblanca, R, Lira-Navarrete, E, Sancho, J, Hurtado-Guerrero, R. | Deposit date: | 2012-03-21 | Release date: | 2012-04-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural and Mechanistic Basis of the Interaction between a Pharmacological Chaperone and Human Phenylalanine Hydroxylase. Chembiochem, 13, 2012
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7AAV
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![BU of 7aav by Molmil](/molmil-images/mine/7aav) | Human pre-Bact-2 spliceosome core structure | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, D-chiro inositol hexakisphosphate, ... | Authors: | Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R. | Deposit date: | 2020-09-04 | Release date: | 2020-12-09 | Last modified: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation. Science, 370, 2020
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1HAY
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![BU of 1hay by Molmil](/molmil-images/mine/1hay) | Snapshots of serine protease catalysis: (B) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 10 seconds | Descriptor: | CALCIUM ION, ELASTASE 1, SULFATE ION | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | Deposit date: | 2001-04-10 | Release date: | 2001-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Nat.Struct.Biol., 8, 2001
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1RNT
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![BU of 1rnt by Molmil](/molmil-images/mine/1rnt) | RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF THE RIBONUCLEASE T1(ASTERISK)2(PRIME)-GUANYLIC ACID COMPLEX AT 1.9 ANGSTROMS RESOLUTION | Descriptor: | GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 ISOZYME | Authors: | Saenger, W, Arni, R, Heinemann, U, Tokuoka, R. | Deposit date: | 1987-07-10 | Release date: | 1987-10-16 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Restrained Least-Squares Refinement of the Crystal Structure of the Ribonuclease T1(Asterisk)2(Prime)-Guanylic Acid Complex at 1.9 Angstroms Resolution Acta Crystallogr.,Sect.B, 43, 1987
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8OQT
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![BU of 8oqt by Molmil](/molmil-images/mine/8oqt) | |
4AJK
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![BU of 4ajk by Molmil](/molmil-images/mine/4ajk) | rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide | Descriptor: | GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Greenwood, R. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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8OQS
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![BU of 8oqs by Molmil](/molmil-images/mine/8oqs) | |
8OQR
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![BU of 8oqr by Molmil](/molmil-images/mine/8oqr) | |
3JAX
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![BU of 3jax by Molmil](/molmil-images/mine/3jax) | Heavy meromyosin from Schistosoma mansoni muscle thick filament by negative stain EM | Descriptor: | myosin 2 heavy chain, myosin regulatory light chain, smooth muscle myosin essential light chain | Authors: | Sulbaran, G, Alamo, L, Pinto, A, Marquez, G, Mendez, F, Padron, R, Craig, R. | Deposit date: | 2015-07-03 | Release date: | 2015-10-07 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (23 Å) | Cite: | An invertebrate smooth muscle with striated muscle myosin filaments. Proc.Natl.Acad.Sci.USA, 112, 2015
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8OQP
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![BU of 8oqp by Molmil](/molmil-images/mine/8oqp) | |
4AJH
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![BU of 4ajh by Molmil](/molmil-images/mine/4ajh) | rat LDHA in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and 2-(4-bromophenoxy)propanedioic acid | Descriptor: | 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Greenwood, R, Pearson, S, Debreczeni, J. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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8OQU
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![BU of 8oqu by Molmil](/molmil-images/mine/8oqu) | |
1H7C
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![BU of 1h7c by Molmil](/molmil-images/mine/1h7c) | human tubulin chaperone cofactor a | Descriptor: | ACETIC ACID, SULFATE ION, TUBULIN-SPECIFIC CHAPERONE A | Authors: | Guasch, A, Aloria, K, Perez, R, Campo, R, Avila, J, Zabala, J.C, Coll, M. | Deposit date: | 2001-07-04 | Release date: | 2002-06-13 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-Dimensional Structure of Human Tubulin Chaperone Cofactor A J.Mol.Biol., 318, 2002
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6GA6
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![BU of 6ga6 by Molmil](/molmil-images/mine/6ga6) | Bacteriorhodopsin, 10 ps state, real-space refined against 10% extrapolated map | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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3ZY5
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![BU of 3zy5 by Molmil](/molmil-images/mine/3zy5) | Crystal structure of POFUT1 in complex with GDP-fucose (crystal-form-I) | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, ... | Authors: | Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R. | Deposit date: | 2011-08-17 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural Insights Into the Mechanism of Protein O-Fucosylation. Plos One, 6, 2011
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6GAG
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![BU of 6gag by Molmil](/molmil-images/mine/6gag) | BACTERIORHODOPSIN, 630 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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