2N87
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8SUF
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![BU of 8suf by Molmil](/molmil-images/mine/8suf) | The complex of TOL-1 ectodomain bound to LAT-1 Lectin domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Latrophilin-like protein 1, ... | Authors: | Carmona Rosas, G, Li, J, Arac, D, Ozkan, E. | Deposit date: | 2023-05-12 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structural basis and functional roles for Toll-like receptor binding to Latrophilin adhesion-GPCR in embryo development To Be Published
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8TCF
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![BU of 8tcf by Molmil](/molmil-images/mine/8tcf) | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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8TCG
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![BU of 8tcg by Molmil](/molmil-images/mine/8tcg) | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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4O2P
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![BU of 4o2p by Molmil](/molmil-images/mine/4o2p) | Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine | Descriptor: | 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Richters, A, Rauh, D. | Deposit date: | 2013-12-17 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Combining X-ray Crystallography and Molecular Modeling toward the Optimization of Pyrazolo[3,4-d]pyrimidines as Potent c-Src Inhibitors Active in Vivo against Neuroblastoma. J.Med.Chem., 58, 2015
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4PPD
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![BU of 4ppd by Molmil](/molmil-images/mine/4ppd) | PduA K26A, crystal form 2 | Descriptor: | GLYCEROL, Propanediol utilization protein PduA, SULFATE ION | Authors: | McNamara, D.E, Sawaya, M.R, Bobik, T.A, Yeates, T.O. | Deposit date: | 2014-02-26 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Alanine scanning mutagenesis identifies an asparagine-arginine-lysine triad essential to assembly of the shell of the pdu microcompartment. J.Mol.Biol., 426, 2014
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3NK1
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![BU of 3nk1 by Molmil](/molmil-images/mine/3nk1) | Complex of 6-hydroxy-L-nicotine oxidase with serotonin | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kachalova, G.S, Bartunik, H.D. | Deposit date: | 2010-06-18 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans. J.Mol.Biol., 396, 2010
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3NN6
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![BU of 3nn6 by Molmil](/molmil-images/mine/3nn6) | Crystal structure of inhibitor-bound in active centre 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, (2R,3S,4S)-5-({[(acetylcarbamoyl)amino]methyl}[(3S,4R)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ... | Authors: | Kachalova, G.S, Bartunik, H.D. | Deposit date: | 2010-06-23 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans. J.Mol.Biol., 396, 2010
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8P9V
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![BU of 8p9v by Molmil](/molmil-images/mine/8p9v) | Crystal Structure of Two-Domain Laccase mutant M199G/R240H/D268N from Streptomyces griseoflavus | Descriptor: | COPPER (II) ION, OXYGEN MOLECULE, PEROXIDE ION, ... | Authors: | Kolyadenko, I.A, Tishchenko, S.V, Gabdulkhakov, A.G. | Deposit date: | 2023-06-06 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insight into the Amino Acid Environment of the Two-Domain Laccase's Trinuclear Copper Cluster. Int J Mol Sci, 24, 2023
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8P9U
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![BU of 8p9u by Molmil](/molmil-images/mine/8p9u) | Crystal Structure of Two-Domain Laccase mutant M199A/D268N from Streptomyces griseoflavus | Descriptor: | CALCIUM ION, COPPER (II) ION, OXYGEN MOLECULE, ... | Authors: | Kolyadenko, I.A, Tishchenko, S.V, Gabdulkhakov, A.G. | Deposit date: | 2023-06-06 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insight into the Amino Acid Environment of the Two-Domain Laccase's Trinuclear Copper Cluster. Int J Mol Sci, 24, 2023
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3NGC
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![BU of 3ngc by Molmil](/molmil-images/mine/3ngc) | Complex of 6-hydroxy-L-nicotine oxidase with intermediate methylmyosmine product formed during catalytic turnover | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol, 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ... | Authors: | Kachalova, G.S, Bartunik, H.D. | Deposit date: | 2010-06-11 | Release date: | 2011-03-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans. J.Mol.Biol., 396, 2010
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3NH3
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3NHO
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![BU of 3nho by Molmil](/molmil-images/mine/3nho) | Complex of 6-hydroxy-L-nicotine oxidase with product bound at active site | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one, 6-hydroxy-L-nicotine oxidase, ... | Authors: | Kachalova, G.S, Bartunik, H.D. | Deposit date: | 2010-06-14 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans. J.Mol.Biol., 396, 2010
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3NK0
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6T6R
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![BU of 6t6r by Molmil](/molmil-images/mine/6t6r) | Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid | Descriptor: | (4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-ETHANEDIOL, D-MALATE, ... | Authors: | Rowland, P. | Deposit date: | 2019-10-18 | Release date: | 2020-03-18 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation. J.Med.Chem., 63, 2020
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7LMX
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![BU of 7lmx by Molmil](/molmil-images/mine/7lmx) | A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-06 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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7LMV
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![BU of 7lmv by Molmil](/molmil-images/mine/7lmv) | SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-05 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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6FC7
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5LHL
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![BU of 5lhl by Molmil](/molmil-images/mine/5lhl) | |
2EVR
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![BU of 2evr by Molmil](/molmil-images/mine/2evr) | |
2FEA
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![BU of 2fea by Molmil](/molmil-images/mine/2fea) | |
2FNO
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![BU of 2fno by Molmil](/molmil-images/mine/2fno) | |
6FDJ
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![BU of 6fdj by Molmil](/molmil-images/mine/6fdj) | |
2FG0
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![BU of 2fg0 by Molmil](/molmil-images/mine/2fg0) | |
2GHR
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![BU of 2ghr by Molmil](/molmil-images/mine/2ghr) | |