1RVT
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![BU of 1rvt by Molmil](/molmil-images/mine/1rvt) | 1930 H1 Hemagglutinin in complex with LSTC | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S. | Deposit date: | 2003-12-15 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure and receptor binding properties of the 1918 influenza hemagglutinin. Science, 303, 2004
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7A21
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![BU of 7a21 by Molmil](/molmil-images/mine/7a21) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type I, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2020-08-14 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2153 To Be Published
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3J8D
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![BU of 3j8d by Molmil](/molmil-images/mine/3j8d) | Cryoelectron microscopy of dengue-Fab E104 complex at pH 5.5 | Descriptor: | Envelope protein E, antibody E111 Fab fragment, glycoprotein DIII | Authors: | Zhang, X.Z, Sheng, J, Austin, S.K, Hoornweg, T, Smit, J.M, Kuhn, R.J, Diamond, M.S, Rossmann, M.G. | Deposit date: | 2014-10-13 | Release date: | 2014-11-12 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (26 Å) | Cite: | Structure of Acidic pH Dengue Virus Showing the Fusogenic Glycoprotein Trimers. J.Virol., 89, 2015
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6ZUL
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![BU of 6zul by Molmil](/molmil-images/mine/6zul) | Crystal structure of dimethylated RSL in complex with cucurbit[7]uril and zinc | Descriptor: | Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ... | Authors: | Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B. | Deposit date: | 2020-07-23 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Metal-Mediated Protein-Cucurbituril Crystalline Architectures Cryst.Growth Des., 2020
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1RD4
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![BU of 1rd4 by Molmil](/molmil-images/mine/1rd4) | An allosteric inhibitor of LFA-1 bound to its I-domain | Descriptor: | 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE, Integrin alpha-L | Authors: | Crump, M.P, Ceska, T.A, Spyracopoulos, L, Henry, A, Archibald, S.C, Alexander, R, Taylor, R.J, Findlow, S.C, O'Connell, J, Robinson, M.K, Shock, A. | Deposit date: | 2003-11-05 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of an allosteric inhibitor of LFA-1 bound to the I-domain studied by crystallography, NMR, and calorimetry Biochemistry, 43, 2004
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6ZUM
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![BU of 6zum by Molmil](/molmil-images/mine/6zum) | Crystal structure of dimethylated RSL-N23H (RSL-B3) in complex with cucurbit[7]uril and zinc | Descriptor: | ACETATE ION, Fucose-binding lectin protein, SODIUM ION, ... | Authors: | Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B. | Deposit date: | 2020-07-23 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Metal-Mediated Protein-Cucurbituril Crystalline Architectures Cryst.Growth Des., 2020
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6TJJ
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![BU of 6tjj by Molmil](/molmil-images/mine/6tjj) | Structure of Cerezyme at pH 4.6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2019-11-26 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis. Acta Crystallogr D Struct Biol, 76, 2020
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7BZJ
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![BU of 7bzj by Molmil](/molmil-images/mine/7bzj) | The Discovery of Benzhydrol-Oxaborole Hybrid Derivatives as Leucyl-tRNA Synthetase Inhibitors | Descriptor: | Leucine--tRNA ligase, [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium | Authors: | Liu, R.J, Li, H, Wang, E.D, Zhou, H. | Deposit date: | 2020-04-28 | Release date: | 2020-12-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of benzhydrol-oxaborole derivatives as Streptococcus pneumoniae leucyl-tRNA synthetase inhibitors. Bioorg.Med.Chem., 29, 2021
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7C22
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![BU of 7c22 by Molmil](/molmil-images/mine/7c22) | |
6T2R
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![BU of 6t2r by Molmil](/molmil-images/mine/6t2r) | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | Descriptor: | Beta-glycosidase, SULFATE ION | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | Deposit date: | 2019-10-09 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
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6T6D
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![BU of 6t6d by Molmil](/molmil-images/mine/6t6d) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149 | Descriptor: | 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide, Activin receptor type I, SULFATE ION | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-10-18 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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6T2S
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![BU of 6t2s by Molmil](/molmil-images/mine/6t2s) | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | Descriptor: | Glycoside hydrolase family 16 protein, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | Deposit date: | 2019-10-09 | Release date: | 2020-07-08 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
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1SF2
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![BU of 1sf2 by Molmil](/molmil-images/mine/1sf2) | Structure of E. coli gamma-aminobutyrate aminotransferase | Descriptor: | 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D. | Deposit date: | 2004-02-19 | Release date: | 2004-09-14 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase. Biochemistry, 43, 2004
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1SHU
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![BU of 1shu by Molmil](/molmil-images/mine/1shu) | Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor | Descriptor: | Anthrax toxin receptor 2, MAGNESIUM ION | Authors: | Lacy, D.B, Wigelsworth, D.J, Scobie, H.M, Young, J.A.T, Collier, R.J. | Deposit date: | 2004-02-26 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor Proc.Natl.Acad.Sci.USA, 101, 2004
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1SNZ
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![BU of 1snz by Molmil](/molmil-images/mine/1snz) | |
6HA6
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![BU of 6ha6 by Molmil](/molmil-images/mine/6ha6) | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246) | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | Authors: | Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J. | Deposit date: | 2018-08-07 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246) To Be Published
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6ZLO
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![BU of 6zlo by Molmil](/molmil-images/mine/6zlo) | E2 core of the fungal Pyruvate dehydrogenase complex with asymmetric interior PX30 component | Descriptor: | Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial | Authors: | Forsberg, B.O, Howard, R.J, Aibara, S, Mortesaei, N, Lindahl, E. | Deposit date: | 2020-06-30 | Release date: | 2020-09-23 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Arrangement and symmetry of the fungal E3BP-containing core of the pyruvate dehydrogenase complex. Nat Commun, 11, 2020
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3L1M
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1T45
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![BU of 1t45 by Molmil](/molmil-images/mine/1t45) | STRUCTURAL BASIS FOR THE AUTOINHIBITION AND STI-571 INHIBITION OF C-KIT TYROSINE KINASE | Descriptor: | Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog | Authors: | Mol, C.D, Dougan, D.R, Schneider, T.R, Skene, R.J, Kraus, M.L, Scheibe, D.N, Snell, G.P, Zou, H, Sang, B.C, Wilson, K.P. | Deposit date: | 2004-04-28 | Release date: | 2004-06-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the autoinhibition and STI-571 inhibition of c-Kit tyrosine kinase. J.Biol.Chem., 279, 2004
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1T74
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![BU of 1t74 by Molmil](/molmil-images/mine/1t74) | Crystal structure of the androgen receptor ligand binding domain in complex with a WxxLF motif | Descriptor: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | Deposit date: | 2004-05-07 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface. Plos Biol., 2, 2004
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1T7E
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![BU of 1t7e by Molmil](/molmil-images/mine/1t7e) | Crystal structure of mutant Pro9Ser of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch | Descriptor: | Alpha-like neurotoxin BmK-I, PHOSPHATE ION | Authors: | Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C. | Deposit date: | 2004-05-09 | Release date: | 2004-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins J.Mol.Biol., 341, 2004
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3KP9
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![BU of 3kp9 by Molmil](/molmil-images/mine/3kp9) | Structure of a bacterial homolog of vitamin K epoxide reductase | Descriptor: | MERCURY (II) ION, UBIQUINONE-10, VKORC1/thioredoxin domain protein | Authors: | Li, W, Schulman, S, Dutton, R.J, Boyd, D, Beckwith, J, Rapoport, T.A. | Deposit date: | 2009-11-16 | Release date: | 2010-02-09 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure of a bacterial homologue of vitamin K epoxide reductase. Nature, 463, 2010
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6ZUK
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![BU of 6zuk by Molmil](/molmil-images/mine/6zuk) | Crystal structure of dimethylated RSL-N23H/G68H (RSL-B6) in complex with cucurbit[7]uril and zinc | Descriptor: | Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ... | Authors: | Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B. | Deposit date: | 2020-07-23 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Metal-Mediated Protein-Cucurbituril Crystalline Architectures Cryst.Growth Des., 2020
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1T9E
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1T64
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![BU of 1t64 by Molmil](/molmil-images/mine/1t64) | Crystal Structure of human HDAC8 complexed with Trichostatin A | Descriptor: | CALCIUM ION, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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