4W93
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![BU of 4w93 by Molmil](/molmil-images/mine/4w93) | Human pancreatic alpha-amylase in complex with montbretin A | Descriptor: | CALCIUM ION, CHLORIDE ION, Montbretin A, ... | Authors: | Williams, L.K, Caner, S, Brayer, G.D. | Deposit date: | 2014-08-27 | Release date: | 2015-07-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.352 Å) | Cite: | The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif. Nat.Chem.Biol., 11, 2015
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5JHD
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![BU of 5jhd by Molmil](/molmil-images/mine/5jhd) | Crystal structure of LS10-TCR/M1-HLA-A*02 complex | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Stern, L.J, Selin, L.K, Song, I. | Deposit date: | 2016-04-20 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Broad TCR repertoire and diverse structural solutions for recognition of an immunodominant CD8(+) T cell epitope. Nat. Struct. Mol. Biol., 24, 2017
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8C5R
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4HS2
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![BU of 4hs2 by Molmil](/molmil-images/mine/4hs2) | Crystal Structure of the Human SPOP C-terminal Domain | Descriptor: | Speckle-type POZ protein | Authors: | Van Geersdaele, L.K, Stead, M.A, Carr, S.B, Wright, S.C. | Deposit date: | 2012-10-29 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural basis of high-order oligomerization of the cullin-3 adaptor SPOP. Acta Crystallogr.,Sect.D, 69, 2013
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5NEV
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![BU of 5nev by Molmil](/molmil-images/mine/5nev) | CDK2/Cyclin A in complex with compound 73 | Descriptor: | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G. | Deposit date: | 2017-03-12 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines. J. Med. Chem., 60, 2017
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4X0N
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6L9I
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![BU of 6l9i by Molmil](/molmil-images/mine/6l9i) | |
8FR5
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![BU of 8fr5 by Molmil](/molmil-images/mine/8fr5) | Crystal structure of the Human Smacovirus 1 Rep domain | Descriptor: | MANGANESE (II) ION, Rep, SODIUM ION | Authors: | Limon, L.K, Shi, K, Dao, A, Rugloski, J, Tompkins, K.J, Aihara, H, Gordon, W.R, Evans IIII, R.L. | Deposit date: | 2023-01-06 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | The crystal structure of the human smacovirus 1 Rep domain. Acta Crystallogr.,Sect.F, 79, 2023
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5UKE
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7K7P
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7WQU
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![BU of 7wqu by Molmil](/molmil-images/mine/7wqu) | FeoC from Klebsiella pneumoniae | Descriptor: | Ferrous iron transport protein B, Probable [Fe-S]-dependent transcriptional repressor | Authors: | Hsueh, K.L, Yu, L.K, Hsieh, Y.C, Hsiao, Y.Y, Chen, C.J. | Deposit date: | 2022-01-26 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4.202 Å) | Cite: | FeoC from Klebsiella pneumoniae uses its iron sulfur cluster to regulate the GTPase activity of the ferrous iron channel. Biochim Biophys Acta Proteins Proteom, 1871, 2023
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6NCA
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![BU of 6nca by Molmil](/molmil-images/mine/6nca) | HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Stern, L.J, Selin, L.K, Song, I.Y. | Deposit date: | 2018-12-11 | Release date: | 2019-10-23 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (3.300001 Å) | Cite: | CDR3 alpha drives selection of the immunodominant Epstein Barr virus (EBV) BRLF1-specific CD8 T cell receptor repertoire in primary infection. Plos Pathog., 15, 2019
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1BVE
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![BU of 1bve by Molmil](/molmil-images/mine/1bve) | HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR, 28 STRUCTURES | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | Authors: | Yamazaki, T, Hinck, A.P, Wang, Y.-X, Nicholson, L.K, Torchia, D.A, Wingfield, P, Stahl, S.J, Kaufman, J.D, Chang, C, Domaille, P.J, Lam, P.Y.S. | Deposit date: | 1996-01-16 | Release date: | 1996-08-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy. Protein Sci., 5, 1996
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1BVG
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![BU of 1bvg by Molmil](/molmil-images/mine/1bvg) | HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR MINIMIZED AVERAGE STRUCTURE | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | Authors: | Yamazaki, T, Hinck, A.P, Wang, Y.-X, Nicholson, L.K, Torchia, D.A, Wingfield, P, Stahl, S.J, Kaufman, J.D, Chang, C, Domaille, P.J, Lam, P.Y.S. | Deposit date: | 1996-01-16 | Release date: | 1996-08-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy. Protein Sci., 5, 1996
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4QW2
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![BU of 4qw2 by Molmil](/molmil-images/mine/4qw2) | FMRP N-terminal domain (R138Q) | Descriptor: | 1,2-ETHANEDIOL, Fragile X mental retardation protein 1, LEAD (II) ION | Authors: | Myrick, L.K, Hashimoto, H, Cheng, X, Warren, S.T. | Deposit date: | 2014-07-16 | Release date: | 2014-12-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.989 Å) | Cite: | Human FMRP contains an integral tandem Agenet (Tudor) and KH motif in the amino terminal domain. Hum.Mol.Genet., 24, 2015
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4QVZ
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![BU of 4qvz by Molmil](/molmil-images/mine/4qvz) | FMRP N-terminal domain | Descriptor: | 1,2-ETHANEDIOL, Fragile X mental retardation protein 1 | Authors: | Myrick, L.K, Hashimoto, H, Cheng, X, Warren, S.T. | Deposit date: | 2014-07-16 | Release date: | 2014-12-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.195 Å) | Cite: | Human FMRP contains an integral tandem Agenet (Tudor) and KH motif in the amino terminal domain. Hum.Mol.Genet., 24, 2015
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6WDQ
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![BU of 6wdq by Molmil](/molmil-images/mine/6wdq) | IL23/IL23R/IL12Rb1 signaling 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, Interleukin-12 receptor subunit beta-1, ... | Authors: | Jude, K.M, Ely, L.K, Glassman, C.R, Thomas, C, Spangler, J.B, Lupardus, P.J, Garcia, K.C. | Deposit date: | 2020-04-01 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural basis for IL-12 and IL-23 receptor sharing reveals a gateway for shaping actions on T versus NK cells. Cell, 184, 2021
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6X1K
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![BU of 6x1k by Molmil](/molmil-images/mine/6x1k) | Solution NMR structure of de novo designed TMB2.3 | Descriptor: | De novo designed transmembrane beta-barrel TMB2.3 | Authors: | Liang, B, Vorobieva, A.A, Chow, C.M, Baker, D, Tamm, L.K. | Deposit date: | 2020-05-19 | Release date: | 2021-02-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo design of transmembrane beta barrels. Science, 371, 2021
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6ZM8
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![BU of 6zm8 by Molmil](/molmil-images/mine/6zm8) | Structure of muramidase from Acremonium alcalophilum | Descriptor: | muramidase | Authors: | Moroz, O.V, Blagova, E, Taylor, E, Turkenburg, J.P, Skov, L.K, Gippert, G.P, Schnorr, K.M, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Nymand-Grarup, S, Davies, G.J, Wilson, K.S. | Deposit date: | 2020-07-01 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.78 Å) | Cite: | Fungal GH25 muramidases: New family members with applications in animal nutrition and a crystal structure at 0.78 angstrom resolution. Plos One, 16, 2021
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6ZMV
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![BU of 6zmv by Molmil](/molmil-images/mine/6zmv) | Structure of muramidase from Trichobolus zukalii | Descriptor: | GLYCEROL, SULFATE ION, muramidase | Authors: | Moroz, O.V, Blagova, E, Taylor, E, Turkenburg, J.P, Skov, L.K, Gippert, G.P, Schnorr, K.M, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Nymand-Grarup, S, Davies, G.J, Wilson, K.S. | Deposit date: | 2020-07-04 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Fungal GH25 muramidases: New family members with applications in animal nutrition and a crystal structure at 0.78 angstrom resolution. Plos One, 16, 2021
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5LAR
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![BU of 5lar by Molmil](/molmil-images/mine/5lar) | Crystal structure of p38 alpha MAPK14 in complex with VPC00628 | Descriptor: | 5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Chaikuad, A, Petersen, L.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel p38alpha MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library Medchemcomm, 7, 2016
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6OQH
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5LQF
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![BU of 5lqf by Molmil](/molmil-images/mine/5lqf) | CDK1/CyclinB1/CKS2 in complex with NU6102 | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C. | Deposit date: | 2016-08-17 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines. J. Med. Chem., 60, 2017
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5FRA
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![BU of 5fra by Molmil](/molmil-images/mine/5fra) | CBM40_CPF0721-6'SL | Descriptor: | ACETATE ION, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ... | Authors: | Ribeiro, J.P, Pau, W, Pifferi, C, Renaudet, O, Varrot, A, Mahal, L.K, Imberty, A. | Deposit date: | 2015-12-16 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of a High-Affinity Sialic Acid-Specific Cbm40 from Clostridium Perfringens and Engineering of a Divalent Form. Biochem.J., 473, 2016
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5FRE
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![BU of 5fre by Molmil](/molmil-images/mine/5fre) | Characterization of a novel CBM from Clostridium perfringens | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ACETATE ION, CALCIUM ION, ... | Authors: | Ribeiro, J, Pau, W, Pifferi, C, Renaudet, O, Varrot, A, Mahal, L.K, Imberty, A. | Deposit date: | 2015-12-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of a High-Affinity Sialic Acid-Specific Cbm40 from Clostridium Perfringens and Engineering of a Divalent Form. Biochem.J., 473, 2016
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