6UB4
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![BU of 6ub4 by Molmil](/molmil-images/mine/6ub4) | Crystal structure (C2 form) of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) in complex with laminaritriose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCOSIDE HYDROLASE, ... | Authors: | Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6O4J
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![BU of 6o4j by Molmil](/molmil-images/mine/6o4j) | Amyloid Beta KLVFFAENVGS 16-26 D23N Iowa mutation | Descriptor: | Amyloid-beta precursor protein | Authors: | Griner, S.L, Sawaya, M.R, Rodriguez, J.A, Cascio, D, Gonen, T. | Deposit date: | 2019-02-28 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (1.402 Å) | Cite: | Structure based inhibitors of Amyloid Beta core suggest a common interface with Tau. Elife, 8, 2019
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1BAP
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5KTH
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![BU of 5kth by Molmil](/molmil-images/mine/5kth) | Structure of cow mincle complexed with brartemicin | Descriptor: | 2,4-dihydroxy-6-methyl Benzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ... | Authors: | Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I. | Deposit date: | 2016-07-11 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle. J.Biol.Chem., 291, 2016
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3HRZ
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![BU of 3hrz by Molmil](/molmil-images/mine/3hrz) | Cobra Venom Factor (CVF) in complex with human factor B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cobra venom factor, ... | Authors: | Janssen, B.J.C, Gomes, L, Koning, R.I, Svergun, D.I, Koster, A.J, Fritzinger, D.C, Vogel, C.-W, Gros, P. | Deposit date: | 2009-06-10 | Release date: | 2009-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex Embo J., 28, 2009
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8S9H
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![BU of 8s9h by Molmil](/molmil-images/mine/8s9h) | Crystal structure of monkey TLR7 ectodomain with compound 14 | Descriptor: | (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Critton, D.A. | Deposit date: | 2023-03-28 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.437 Å) | Cite: | Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology. Acs Med.Chem.Lett., 15, 2024
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3HTP
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![BU of 3htp by Molmil](/molmil-images/mine/3htp) | the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTa | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y. | Deposit date: | 2009-06-12 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | The hemagglutinin structure of an avian H1N1 influenza A virus Virology, 392, 2009
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8SNP
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![BU of 8snp by Molmil](/molmil-images/mine/8snp) | Crystal structure of mouse Netrin-1 in complex with samarium ions | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Heide, F, Legare, S, Stetefeld, J. | Deposit date: | 2023-04-27 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Investigating the structural and functional roles of calcium binding in Netrin-1 To Be Published
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7SX3
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![BU of 7sx3 by Molmil](/molmil-images/mine/7sx3) | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 1/2 | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | Deposit date: | 2021-11-22 | Release date: | 2021-12-29 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural architecture of the human NALCN channelosome. Nature, 603, 2022
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7SX4
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![BU of 7sx4 by Molmil](/molmil-images/mine/7sx4) | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 2/2 | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | Deposit date: | 2021-11-22 | Release date: | 2021-12-29 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural architecture of the human NALCN channelosome. Nature, 603, 2022
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6LVY
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![BU of 6lvy by Molmil](/molmil-images/mine/6lvy) | Crystal structure of TLR7/Cpd-2 (SM-360320) complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7H-purin-8-one, ... | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | Deposit date: | 2020-02-06 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural analysis reveals TLR7 dynamics underlying antagonism. Nat Commun, 11, 2020
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6E69
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![BU of 6e69 by Molmil](/molmil-images/mine/6e69) | Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | Descriptor: | 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wolan, D.W, Woehl, J.L, Kitamura, S. | Deposit date: | 2018-07-24 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase. Proc.Natl.Acad.Sci.USA, 116, 2019
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1B9V
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![BU of 1b9v by Molmil](/molmil-images/mine/1b9v) | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE | Descriptor: | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zahao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 1999-02-15 | Release date: | 1999-02-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
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5LAL
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![BU of 5lal by Molmil](/molmil-images/mine/5lal) | Structure of Arabidopsis dirigent protein AtDIR6 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dirigent protein 6, ... | Authors: | Gasper, R, Kolesinski, P, Terlecka, B, Effenberger, I, Schaller, A, Hofmann, E. | Deposit date: | 2016-06-14 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Dirigent Protein Mode of Action Revealed by the Crystal Structure of AtDIR6. Plant Physiol., 172, 2016
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6EJ7
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8ING
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![BU of 8ing by Molmil](/molmil-images/mine/8ing) | Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution | Descriptor: | 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ahmad, M.I, Viswanathan, V, Kumar, M, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, P, Sharma, S, Singh, T.P. | Deposit date: | 2023-03-09 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution To be published
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6U7N
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![BU of 6u7n by Molmil](/molmil-images/mine/6u7n) | Crystal structure of neurotrimin (NTM) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Neurotrimin, ... | Authors: | Machius, M, Venkannagari, H, Misra, A, Rudenko, G, Rush, S. | Deposit date: | 2019-09-03 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.321 Å) | Cite: | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes. J.Mol.Biol., 432, 2020
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6ONS
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![BU of 6ons by Molmil](/molmil-images/mine/6ons) | Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase with the D-cluster ligating cysteines mutated to alanines, coexpressed with CooC, as-isolated | Descriptor: | Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, IRON/SULFUR CLUSTER | Authors: | Cohen, S.E, Wittenborn, E.C, Drennan, C.L. | Deposit date: | 2019-04-22 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.485 Å) | Cite: | Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase. J.Biol.Chem., 294, 2019
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4X2U
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![BU of 4x2u by Molmil](/molmil-images/mine/4x2u) | X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M1 Alanyl Aminopeptidase from P. falciparum | Descriptor: | (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Drinkwater, N, McGowan, S. | Deposit date: | 2014-11-27 | Release date: | 2015-02-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | X-ray crystal structures of an orally available aminopeptidase inhibitor, Tosedostat, bound to anti-malarial drug targets PfA-M1 and PfA-M17. Proteins, 83, 2015
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6OS3
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![BU of 6os3 by Molmil](/molmil-images/mine/6os3) | Crystal structure of native CymD prenyltransferase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CymD prenyltransferase | Authors: | Roose, B.W, Christianson, D.W. | Deposit date: | 2019-05-01 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD. Biochemistry, 58, 2019
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3VT0
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![BU of 3vt0 by Molmil](/molmil-images/mine/3vt0) | Crystal structure of Ct1,3Gal43A in complex with lactose | Descriptor: | GLYCEROL, Ricin B lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C. | Deposit date: | 2012-05-18 | Release date: | 2012-12-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.913 Å) | Cite: | Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum J.Struct.Biol., 180, 2012
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8F0O
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6USM
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8F5B
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7N6F
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![BU of 7n6f by Molmil](/molmil-images/mine/7n6f) | Co-complex CYP46A1 with compound 3f | Descriptor: | (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone, 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, ... | Authors: | Lane, W, Gay, S.C. | Deposit date: | 2021-06-08 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H) Eur.J.Med.Chem., 240, 2022
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