7W2T
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![BU of 7w2t by Molmil](/molmil-images/mine/7w2t) | Crystal structure of TxGH116 E730Q mutant from Thermoanaerobacterium xylanolyticum with glucose | Descriptor: | CALCIUM ION, GLYCEROL, Glucosylceramidase, ... | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | Deposit date: | 2021-11-24 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116. Catalysts, 12, 2022
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7W2V
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![BU of 7w2v by Molmil](/molmil-images/mine/7w2v) | Crystal structure of TxGH116 R786A mutant from Thermoanaerobacterium xylanolyticum with glucose | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | Deposit date: | 2021-11-24 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116. Catalysts, 12, 2022
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7W2X
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![BU of 7w2x by Molmil](/molmil-images/mine/7w2x) | Crystal structure of TxGH116 R786K mutant from Thermoanaerobacterium xylanolyticum | Descriptor: | CALCIUM ION, GLYCEROL, Glucosylceramidase, ... | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | Deposit date: | 2021-11-24 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116. Catalysts, 12, 2022
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2VJ4
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![BU of 2vj4 by Molmil](/molmil-images/mine/2vj4) | Methylated Shigella flexneri MxiC | Descriptor: | PROTEIN MXIC | Authors: | Deane, J.E, Roversi, P, King, C, Johnson, S, Lea, S.M. | Deposit date: | 2007-12-06 | Release date: | 2008-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the Shigella Flexneri Type 3 Secretion System Protein Mxic Reveal Conformational Variability Amongst Homologues. J.Mol.Biol., 377, 2008
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2VT1
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![BU of 2vt1 by Molmil](/molmil-images/mine/2vt1) | Crystal structure of the cytoplasmic domain of Spa40, the specificity switch for the Shigella flexneri Type III Secretion System | Descriptor: | SURFACE PRESENTATION OF ANTIGENS PROTEIN SPAS | Authors: | Deane, J.E, Graham, S.C, Mitchell, E.P, Flot, D, Johnson, S, Lea, S.M. | Deposit date: | 2008-05-08 | Release date: | 2008-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Spa40, the Specificity Switch for the Shigella Flexneri Type III Secretion System Mol.Microbiol., 69, 2008
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2VXS
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![BU of 2vxs by Molmil](/molmil-images/mine/2vxs) | Structure of IL-17A in complex with a potent, fully human neutralising antibody | Descriptor: | FAB FRAGMENT, INTERLEUKIN-17A, SULFATE ION | Authors: | Gerhardt, S, Hargreaves, D, Pauptit, R.A, Davies, R.A, Russell, C, Welsh, F, Tuske, S.J, Coales, S.J, Hamuro, Y, Needham, M.R.C, Langham, C, Barker, W, Bell, P, Aziz, A, Smith, M.J, Dawson, S, Abbott, W.M. | Deposit date: | 2008-07-09 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody. J.Mol.Biol., 394, 2009
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7KKJ
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![BU of 7kkj by Molmil](/molmil-images/mine/7kkj) | Structure of anti-SARS-CoV-2 Spike nanobody mNb6 | Descriptor: | CHLORIDE ION, SULFATE ION, Synthetic nanobody mNb6 | Authors: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | Deposit date: | 2020-10-27 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike. Science, 370, 2020
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7KKK
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![BU of 7kkk by Molmil](/molmil-images/mine/7kkk) | SARS-CoV-2 Spike in complex with neutralizing nanobody Nb6 | 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, ... | Authors: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | Deposit date: | 2020-10-27 | Release date: | 2020-11-11 | Last modified: | 2021-04-21 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike. Science, 370, 2020
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7KKL
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![BU of 7kkl by Molmil](/molmil-images/mine/7kkl) | SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6 | 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, ... | Authors: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | Deposit date: | 2020-10-27 | Release date: | 2020-11-11 | Last modified: | 2021-04-21 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike. Science, 370, 2020
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7ALJ
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![BU of 7alj by Molmil](/molmil-images/mine/7alj) | Structure of Drosophila Notch EGF domains 11-13 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus Notch protein, ... | Authors: | Suckling, R, Johnson, S, Lea, S.M. | Deposit date: | 2020-10-06 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling. Embo Rep., 22, 2021
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7ALK
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![BU of 7alk by Molmil](/molmil-images/mine/7alk) | Structure of Drosophila C2-DSL-EGF1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neurogenic locus protein delta, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Suckling, R, Johnson, S, Lea, S.M. | Deposit date: | 2020-10-06 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling. Embo Rep., 22, 2021
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7ALT
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![BU of 7alt by Molmil](/molmil-images/mine/7alt) | Structure of Drosophila Serrate C2-DSL-EGF1-EGF2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Suckling, R, Johnson, S, Lea, S.M. | Deposit date: | 2020-10-07 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling. Embo Rep., 22, 2021
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7B29
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![BU of 7b29 by Molmil](/molmil-images/mine/7b29) | |
7B2A
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![BU of 7b2a by Molmil](/molmil-images/mine/7b2a) | |
7B2D
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![BU of 7b2d by Molmil](/molmil-images/mine/7b2d) | |
7B26
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![BU of 7b26 by Molmil](/molmil-images/mine/7b26) | CirpA1 in complex with pseudo-monomeric Properdin lacking TSR2-3 | Descriptor: | CirpA1, Properdin, alpha-D-mannopyranose, ... | Authors: | Lea, S.M, Johnson, S, Braunger, K. | Deposit date: | 2020-11-26 | Release date: | 2021-12-08 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure and function of a family of tick-derived complement inhibitors targeting properdin. Nat Commun, 13, 2022
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7B28
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![BU of 7b28 by Molmil](/molmil-images/mine/7b28) | |
4ACX
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![BU of 4acx by Molmil](/molmil-images/mine/4acx) | Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23 | Descriptor: | (8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1 | Authors: | Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S. | Deposit date: | 2011-12-20 | Release date: | 2012-02-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy. Bioorg. Med. Chem. Lett., 22, 2012
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4ACU
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![BU of 4acu by Molmil](/molmil-images/mine/4acu) | Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 14 | Descriptor: | (8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1 | Authors: | Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S. | Deposit date: | 2011-12-19 | Release date: | 2012-02-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy. Bioorg. Med. Chem. Lett., 22, 2012
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5DKP
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![BU of 5dkp by Molmil](/molmil-images/mine/5dkp) | Crystal Structure of N. meningitidis ClpP in complex with agonist ADEP A54556. | Descriptor: | ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION, SODIUM ION, ... | Authors: | Goodreid, J.D, Janetzko, J, Santa Maria Jr, J.P, Wong, K, Leung, E, Eger, B.T, Bryson, S, Pai, E.F, Gray-Owen, S.D, Walker, S, Houry, W.A, Batey, R.A. | Deposit date: | 2015-09-03 | Release date: | 2016-01-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.381 Å) | Cite: | Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity. J.Med.Chem., 59, 2016
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7ALW
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![BU of 7alw by Molmil](/molmil-images/mine/7alw) | |
6T1H
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![BU of 6t1h by Molmil](/molmil-images/mine/6t1h) | OXA-51-like beta-lactamase OXA-66 | Descriptor: | Beta-lactamase OXA-66, ZINC ION | Authors: | Takebayashi, Y, Chirgadze, D, Henderson, S, Warburton, P.J, Evans, B.E. | Deposit date: | 2019-10-04 | Release date: | 2020-10-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the OXA-51-like beta-lactamase OXA-66 To Be Published
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2XRC
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![BU of 2xrc by Molmil](/molmil-images/mine/2xrc) | Human complement factor I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HUMAN COMPLEMENT FACTOR I | Authors: | Roversi, P, Johnson, S, Lea, S.M. | Deposit date: | 2010-09-13 | Release date: | 2011-07-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural Basis for Complement Factor I Control and its Disease-Associated Sequence Polymorphisms. Proc.Natl.Acad.Sci.USA, 108, 2011
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2XRB
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![BU of 2xrb by Molmil](/molmil-images/mine/2xrb) | Structure of the N-terminal four domains of the complement regulator Rat Crry | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT REGULATORY PROTEIN CRRY, SULFATE ION | Authors: | Leath, K.J, Roversi, P, Johnson, S, Morgan, B.P, Lea, S.M. | Deposit date: | 2010-09-13 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the Rat Complement Regulator Crry. Acta Crystallogr.,Sect.F, 67, 2011
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4AL4
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![BU of 4al4 by Molmil](/molmil-images/mine/4al4) | rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)3-oxo-propyl)carbamoylamino)ethoxy)phenyl)methylpropanedioic acid | Descriptor: | 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Ward, R, Tart, J, Davies, G, Hohson, M, Pearson, S. | Deposit date: | 2012-03-01 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 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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