6SMP
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![BU of 6smp by Molmil](/molmil-images/mine/6smp) | AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide | Descriptor: | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ... | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-22 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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1UFU
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![BU of 1ufu by Molmil](/molmil-images/mine/1ufu) | Crystal structure of ligand binding domain of immunoglobulin-like transcript 2 (ILT2; LIR-1) | Descriptor: | Immunoglobulin-like transcript 2 | Authors: | Shiroishi, M, Amano, K, Rasubala, L, Tsumoto, K, Kumagai, I, Kohda, D, Maenaka, K. | Deposit date: | 2003-06-10 | Release date: | 2004-08-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Kinetic and thermodynamic properties of the interaction between Immunoglobulin like transcript (ILT) and MHC class I To be Published
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1N4U
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4CAD
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![BU of 4cad by Molmil](/molmil-images/mine/4cad) | Mechanism of farnesylated CAAX protein processing by the integral membrane protease Rce1 | Descriptor: | ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Kulkarni, K, Manolaridis, I, Dodd, R.B, Cronin, N, Ogasawara, S, Iwata, S, Barford, D. | Deposit date: | 2013-10-08 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of Farnesylated Caax Protein Processing by the Intramembrane Protease Rce1 Nature, 504, 2013
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8P6Y
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![BU of 8p6y by Molmil](/molmil-images/mine/8p6y) | Cryo-EM structure of CAK in complex with nucleotide analogue ATPgS | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-05-30 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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7Z2Y
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![BU of 7z2y by Molmil](/molmil-images/mine/7z2y) | Escherichia coli periplasmic phytase AppA T305E mutant, complex with myo-inositol hexakissulfate | Descriptor: | Acidphosphatase, D-MYO-INOSITOL-HEXASULPHATE, NICKEL (II) ION | Authors: | Acquistapace, I.M, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2022-03-01 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Insights to the Structural Basis for the Stereospecificity of the Escherichia coli Phytase, AppA. Int J Mol Sci, 23, 2022
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7Z2W
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![BU of 7z2w by Molmil](/molmil-images/mine/7z2w) | Escherichia coli periplasmic phytase AppA D304A,T305E mutant, complex with myo-inositol hexakissulfate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acidphosphatase, D-MYO-INOSITOL-HEXASULPHATE, ... | Authors: | Acquistapace, I.M, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2022-03-01 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Insights to the Structural Basis for the Stereospecificity of the Escherichia coli Phytase, AppA. Int J Mol Sci, 23, 2022
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7Z1J
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![BU of 7z1j by Molmil](/molmil-images/mine/7z1j) | Escherichia coli periplasmic phytase AppA, complex with phosphate | Descriptor: | Acidphosphatase, MAGNESIUM ION, NICKEL (II) ION, ... | Authors: | Acquistapace, I.M, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2022-02-24 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Insights to the Structural Basis for the Stereospecificity of the Escherichia coli Phytase, AppA. Int J Mol Sci, 23, 2022
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7Z2S
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![BU of 7z2s by Molmil](/molmil-images/mine/7z2s) | Escherichia coli periplasmic phytase AppA, complex with myo-inositol hexakissulfate | Descriptor: | Acidphosphatase, D-MYO-INOSITOL-HEXASULPHATE, NICKEL (II) ION, ... | Authors: | Acquistapace, I.M, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2022-02-28 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Insights to the Structural Basis for the Stereospecificity of the Escherichia coli Phytase, AppA. Int J Mol Sci, 23, 2022
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7Z32
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![BU of 7z32 by Molmil](/molmil-images/mine/7z32) | Escherichia coli periplasmic phytase AppA D304A mutant, phosphohistidine intermediate | Descriptor: | Acidphosphatase, NICKEL (II) ION | Authors: | Acquistapace, I.M, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2022-03-01 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Insights to the Structural Basis for the Stereospecificity of the Escherichia coli Phytase, AppA. Int J Mol Sci, 23, 2022
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5OM9
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![BU of 5om9 by Molmil](/molmil-images/mine/5om9) | Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with a thiirane mechanism-based inhibitor | Descriptor: | (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid, Carboxypeptidase A1, ZINC ION | Authors: | Gallego, P, Granados, C, Fernandez, D, Pallares, I, Covaleda, G, Aviles, F.X, Vendrell, J, Reverter, D. | Deposit date: | 2017-07-28 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Mechanism-Based Inactivators for Human Pancreatic Carboxypeptidase A from a Focused Synthetic Library. ACS Med Chem Lett, 8, 2017
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6SG2
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![BU of 6sg2 by Molmil](/molmil-images/mine/6sg2) | FeFe Hydrogenase from Desulfovibrio desulfuricans in Hinact state | Descriptor: | HydB, IRON/SULFUR CLUSTER, Periplasmic [Fe] hydrogenase large subunit, ... | Authors: | Galle, L.M, Span, I. | Deposit date: | 2019-08-02 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Caught in the H inact : Crystal Structure and Spectroscopy Reveal a Sulfur Bound to the Active Site of an O 2 -stable State of [FeFe] Hydrogenase. Angew.Chem.Int.Ed.Engl., 59, 2020
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7Z2T
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![BU of 7z2t by Molmil](/molmil-images/mine/7z2t) | Escherichia coli periplasmic phytase AppA D304A mutant, complex with myo-inositol hexakissulfate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acidphosphatase, D-MYO-INOSITOL-HEXASULPHATE, ... | Authors: | Acquistapace, I.M, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2022-02-28 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Insights to the Structural Basis for the Stereospecificity of the Escherichia coli Phytase, AppA. Int J Mol Sci, 23, 2022
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1RUD
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![BU of 1rud by Molmil](/molmil-images/mine/1rud) | RHINOVIRUS 14 MUTANT N1105S COMPLEXED WITH ANTIVIRAL COMPOUND WIN 52084 | Descriptor: | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, RHINOVIRUS 14 | Authors: | Hadfield, A, Oliveira, M.A, Kim, K.H, Minor, I, Kremer, M.J, Heinz, B.A, Shepard, D, Pevear, D.C, Rueckert, R.R, Rossmann, M.G. | Deposit date: | 1995-06-09 | Release date: | 1995-11-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural studies on human rhinovirus 14 drug-resistant compensation mutants. J.Mol.Biol., 253, 1995
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8P6V
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![BU of 8p6v by Molmil](/molmil-images/mine/8p6v) | Cryo-EM structure of CAK in complex with inhibitor ICEC0942 | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-05-30 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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6F88
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6SHW
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![BU of 6shw by Molmil](/molmil-images/mine/6shw) | N-terminal domain of Drosophila X Virus VP3 | Descriptor: | SULFATE ION, Structural polyprotein | Authors: | Ferrero, D.S, Garriga, D, Guerra, P, Uson, I, Verdaguer, N. | Deposit date: | 2019-08-08 | Release date: | 2020-11-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and dsRNA-binding activity of the Birnavirus Drosophila X Virus VP3 protein. J.Virol., 2020
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1RUH
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![BU of 1ruh by Molmil](/molmil-images/mine/1ruh) | RHINOVIRUS 14 MUTANT N1219S COMPLEXED WITH ANTIVIRAL COMPOUND WIN 52084 | Descriptor: | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, RHINOVIRUS 14 | Authors: | Hadfield, A, Oliveira, M.A, Kim, K.H, Minor, I, Kremer, M.J, Heinz, B.A, Shepard, D, Pevear, D.C, Rueckert, R.R, Rossmann, M.G. | Deposit date: | 1995-06-09 | Release date: | 1995-11-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural studies on human rhinovirus 14 drug-resistant compensation mutants. J.Mol.Biol., 253, 1995
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3OJ3
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6SI6
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![BU of 6si6 by Molmil](/molmil-images/mine/6si6) | N-terminal domain of Drosophila X virus VP3 | Descriptor: | GLYCEROL, IMIDAZOLE, Structural polyprotein | Authors: | Ferrero, D.S, Garriga, D, Guerra, P, Uson, I, Verdaguer, N. | Deposit date: | 2019-08-08 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure and dsRNA-binding activity of the Birnavirus Drosophila X Virus VP3 protein. J.Virol., 2020
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2OX9
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![BU of 2ox9 by Molmil](/molmil-images/mine/2ox9) | Mouse Scavenger Receptor C-type Lectin carbohydrate-recognition domain. | Descriptor: | CALCIUM ION, Collectin placenta 1, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Weis, W.I, Feinberg, H, Drickamer, K, Taylor, M.E. | Deposit date: | 2007-02-20 | Release date: | 2007-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Scavenger receptor C-type lectin binds to the leukocyte cell surface glycan Lewis(x) by a novel mechanism. J.Biol.Chem., 282, 2007
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4CBT
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![BU of 4cbt by Molmil](/molmil-images/mine/4cbt) | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | Descriptor: | (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, ZINC ION | Authors: | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | Deposit date: | 2013-10-16 | Release date: | 2013-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease. J. Med. Chem., 56, 2013
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6V8W
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![BU of 6v8w by Molmil](/molmil-images/mine/6v8w) | CDYL2 chromodomain in complex with a synthetic peptide | Descriptor: | Chromodomain Y-like protein 2, IVA-PHE-ALA-PHE-5T3-SER-NH2, UNKNOWN ATOM OR ION | Authors: | Dong, C, Tempel, W, James, L.I, Lamb, K.N, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-12 | Release date: | 2020-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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2P1N
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![BU of 2p1n by Molmil](/molmil-images/mine/2p1n) | Mechanism of Auxin Perception by the TIR1 Ubiqutin Ligase | Descriptor: | (2,4-DICHLOROPHENOXY)ACETIC ACID, Auxin-responsive protein IAA7, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, C, Zheng, N. | Deposit date: | 2007-03-06 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of auxin perception by the TIR1 ubiquitin ligase Nature, 446, 2007
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2G9O
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![BU of 2g9o by Molmil](/molmil-images/mine/2g9o) | Solution structure of the apo form of the third metal-binding domain of ATP7A protein (Menkes Disease protein) | Descriptor: | Copper-transporting ATPase 1 | Authors: | Banci, L, Bertini, I, Cantini, F, DellaMalva, N, Rosato, A, Herrmann, T, Wuthrich, K, Structural Proteomics in Europe (SPINE) | Deposit date: | 2006-03-07 | Release date: | 2006-08-01 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure and intermolecular interactions of the third metal-binding domain of ATP7A, the Menkes disease protein. J.Biol.Chem., 281, 2006
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