1NH6
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![BU of 1nh6 by Molmil](/molmil-images/mine/1nh6) | Structure of S. marcescens chitinase A, E315L, complex with hexasaccharide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, chitinase A | Authors: | Aronson Jr, N.N, Halloran, B.A, Alexyev, M.F, Amable, L, Madura, J.D, Pasupulati, L, Worth, C, Van Roey, P. | Deposit date: | 2002-12-18 | Release date: | 2003-03-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Family 18 chitinase-oligosaccharide substrate interaction: subsite preference and anomer selectivity of Serratia marcescens chitinase A. Biochem.J., 376, 2003
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8A4Q
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![BU of 8a4q by Molmil](/molmil-images/mine/8a4q) | crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro. | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Ibrahim, M, Hilgenfeld, R, Zhang, L. | Deposit date: | 2022-06-13 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease. J.Med.Chem., 65, 2022
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3IDX
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![BU of 3idx by Molmil](/molmil-images/mine/3idx) | Crystal structure of HIV-gp120 core in complex with CD4-binding site antibody b13, space group C222 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab b13 heavy chain, ... | Authors: | Chen, L, Kwon, Y.D, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z.Y, Zhang, M.Y, Arthos, J, Burton, D.R, Dimitrov, D.S, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D. | Deposit date: | 2009-07-22 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120. Science, 326, 2009
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5II7
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![BU of 5ii7 by Molmil](/molmil-images/mine/5ii7) | In-house sulfur-SAD structure of orthorhombic red abalone lysin at 1.66 A resolution | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Egg-lysin, SULFATE ION | Authors: | Sadat Al-Hosseini, H, Raj, I, Nishimura, K, Jovine, L. | Deposit date: | 2016-03-01 | Release date: | 2017-06-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization. Cell, 169, 2017
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1NA3
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![BU of 1na3 by Molmil](/molmil-images/mine/1na3) | Design of Stable alpha-Helical Arrays from an Idealized TPR Motif | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | Authors: | Main, E, Xiong, Y, Cocco, M, D'Andrea, L, Regan, L. | Deposit date: | 2002-11-26 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Design of Stable alpha-Helical Arrays from an Idealized TPR Motif Structure, 11, 2003
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4QIB
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![BU of 4qib by Molmil](/molmil-images/mine/4qib) | Oxidation-Mediated Inhibition of the Peptidyl-Prolyl Isomerase Pin1 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION | Authors: | Innes, B.T, Sowole, M.A, Konermann, L, Litchfield, D.W, Brandl, C.J, Shilton, B.H. | Deposit date: | 2014-05-30 | Release date: | 2015-02-04 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (1.865 Å) | Cite: | Peroxide-mediated oxidation and inhibition of the peptidyl-prolyl isomerase Pin1. Biochim.Biophys.Acta, 1852, 2015
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1NF3
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![BU of 1nf3 by Molmil](/molmil-images/mine/1nf3) | Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6 | Descriptor: | G25K GTP-binding protein, placental isoform, MAGNESIUM ION, ... | Authors: | Garrard, S.M, Capaldo, C.T, Gao, L, Rosen, M.K, Macara, I.G, Tomchick, D.R. | Deposit date: | 2002-12-12 | Release date: | 2003-03-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6 Embo J., 22, 2003
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1NA0
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![BU of 1na0 by Molmil](/molmil-images/mine/1na0) | Design of Stable alpha-Helical Arrays from an Idealized TPR Motif | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, ACETATE ION, CHLORIDE ION, ... | Authors: | Main, E, Xiong, Y, Cocco, M, D'Andrea, L, Regan, L. | Deposit date: | 2002-11-26 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Stable alpha-Helical Arrays from an Idealized TPR Motif Structure, 11, 2003
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5II9
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![BU of 5ii9 by Molmil](/molmil-images/mine/5ii9) | |
7N5H
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![BU of 7n5h by Molmil](/molmil-images/mine/7n5h) | Cryo-EM structure of broadly neutralizing antibody 2-36 in complex with prefusion SARS-CoV-2 spike glycoprotein | Descriptor: | 2-36 Fab heavy chain, 2-36 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Casner, R.G, Cerutti, G, Shapiro, L. | Deposit date: | 2021-06-05 | Release date: | 2021-11-03 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | A monoclonal antibody that neutralizes SARS-CoV-2 variants, SARS-CoV, and other sarbecoviruses. Emerg Microbes Infect, 11, 2022
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4XFO
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7ZJE
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![BU of 7zje by Molmil](/molmil-images/mine/7zje) | C16-2 | Descriptor: | Transient receptor potential cation channel subfamily V member 2,Enhanced green fluorescent protein | Authors: | Zhang, L, Gourdon, P, Zygmunt, P.M. | Deposit date: | 2022-04-10 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function. Nat Commun, 13, 2022
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7ZJG
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![BU of 7zjg by Molmil](/molmil-images/mine/7zjg) | Probenecid | Descriptor: | Transient receptor potential cation channel subfamily V member 2 | Authors: | Zhang, L, Gourdon, P, Zygmunt, P.M. | Deposit date: | 2022-04-11 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function. Nat Commun, 13, 2022
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7ZJI
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7ZJH
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![BU of 7zjh by Molmil](/molmil-images/mine/7zjh) | TRPV2-C16+Pro-2 | Descriptor: | Transient receptor potential cation channel subfamily V member 2 | Authors: | Zhang, L, Gourdon, P, Zygmunt, P.M. | Deposit date: | 2022-04-11 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function. Nat Commun, 13, 2022
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7ZJD
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![BU of 7zjd by Molmil](/molmil-images/mine/7zjd) | |
6S4A
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![BU of 6s4a by Molmil](/molmil-images/mine/6s4a) | Structure of human MTHFD2 in complex with TH9028 | Descriptor: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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6S4F
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![BU of 6s4f by Molmil](/molmil-images/mine/6s4f) | Structure of human MTHFD2 in complex with TH9619 | Descriptor: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | Authors: | Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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6S4E
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![BU of 6s4e by Molmil](/molmil-images/mine/6s4e) | Structure of human MTHFD2 in complex with TH7299 | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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4XFN
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5II8
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![BU of 5ii8 by Molmil](/molmil-images/mine/5ii8) | Orthorhombic crystal structure of red abalone lysin at 0.99 A resolution | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Egg-lysin, SULFATE ION | Authors: | Sadat Al-Hosseini, H, Raj, I, Nishimura, K, De Sanctis, D, Jovine, L. | Deposit date: | 2016-03-01 | Release date: | 2017-06-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization. Cell, 169, 2017
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1NY1
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![BU of 1ny1 by Molmil](/molmil-images/mine/1ny1) | CRYSTAL STRUCTURE OF B. SUBTILIS POLYSACCHARIDE DEACETYLASE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR127. | Descriptor: | Probable polysaccharide deacetylase pdaA | Authors: | Forouhar, F, Edstrom, W, Khan, J, Ma, L, Chiang, Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-02-11 | Release date: | 2003-03-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Polysaccharide Deacetylase (PDAA_BACSU) from B. Subtilis (Pdaa_Bacsu) Northeast Structural Genomics Research Consortium (Nesg) Target Sr127 To be Published
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3IDY
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![BU of 3idy by Molmil](/molmil-images/mine/3idy) | Crystal structure of HIV-gp120 core in complex with CD4-binding site antibody b13, space group C2221 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab b13 heavy chain, Fab b13 light chain, ... | Authors: | Chen, L, Kwon, Y.D, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z.Y, Zhang, M.Y, Arthos, J, Burton, D.R, Dimitrov, D.S, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D. | Deposit date: | 2009-07-22 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120. Science, 326, 2009
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6EOX
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![BU of 6eox by Molmil](/molmil-images/mine/6eox) | Crystal structure of MMP12 in complex with carboxylic inhibitor LP165. | Descriptor: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | Deposit date: | 2017-10-10 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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4QBA
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![BU of 4qba by Molmil](/molmil-images/mine/4qba) | |