4S29
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![BU of 4s29 by Molmil](/molmil-images/mine/4s29) | Crystal structure of Arabidopsis thaliana ThiC with bound imidazole ribonucleotide and Fe | Descriptor: | 1,4-BUTANEDIOL, 1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole, FE (II) ION, ... | Authors: | Fenwick, M.K, Mehta, A.P, Zhang, Y, Abdelwahed, S, Begley, T.P, Ealick, S.E. | Deposit date: | 2015-01-19 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.382 Å) | Cite: | Non-canonical active site architecture of the radical SAM thiamin pyrimidine synthase. Nat Commun, 6
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2B6B
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![BU of 2b6b by Molmil](/molmil-images/mine/2b6b) | Cryo EM structure of Dengue complexed with CRD of DC-SIGN | Descriptor: | CD209 antigen, envelope glycoprotein | Authors: | Pokidysheva, E, Zhang, Y, Battisti, A.J, Bator-Kelly, C.M, Chipman, P.R, Gregorio, G, Hendrickson, W.A, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2005-09-30 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Cryo-EM reconstruction of dengue virus in complex with the carbohydrate recognition domain of DC-SIGN Cell(Cambridge,Mass.), 124, 2006
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4ET0
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![BU of 4et0 by Molmil](/molmil-images/mine/4et0) | |
1UO5
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![BU of 1uo5 by Molmil](/molmil-images/mine/1uo5) | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | Descriptor: | CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, iodobenzene | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y. | Deposit date: | 2003-09-15 | Release date: | 2004-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
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1UNT
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![BU of 1unt by Molmil](/molmil-images/mine/1unt) | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2003-09-15 | Release date: | 2004-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
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1UO0
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![BU of 1uo0 by Molmil](/molmil-images/mine/1uo0) | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2003-09-15 | Release date: | 2004-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
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1UNV
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![BU of 1unv by Molmil](/molmil-images/mine/1unv) | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2003-09-15 | Release date: | 2004-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
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1UNU
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![BU of 1unu by Molmil](/molmil-images/mine/1unu) | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | Descriptor: | CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2003-09-15 | Release date: | 2004-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
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8IXW
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![BU of 8ixw by Molmil](/molmil-images/mine/8ixw) | |
1RQJ
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![BU of 1rqj by Molmil](/molmil-images/mine/1rqj) | Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Risedronate | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyltranstransferase, ... | Authors: | Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J. | Deposit date: | 2003-12-05 | Release date: | 2004-03-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis J.Biol.Chem., 279, 2004
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8JCB
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![BU of 8jcb by Molmil](/molmil-images/mine/8jcb) | Vgamma5 Vdelta1 T cell receptor complex | Descriptor: | T cell receptor delta variable 1,T cell receptor delta constant, T cell receptor gamma variable 5,T cell receptor gamma constant 1, T-cell surface glycoprotein CD3 delta chain, ... | Authors: | Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q. | Deposit date: | 2023-05-10 | Release date: | 2024-05-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (9.5 Å) | Cite: | Structures of human gamma delta T cell receptor-CD3 complex. Nature, 630, 2024
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8JC0
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![BU of 8jc0 by Molmil](/molmil-images/mine/8jc0) | V gamma9 V delta2 TCR and CD3 complex in LMNG | Descriptor: | CHOLESTEROL, T cell receptor delta variable 2,T cell receptor delta constant, T cell receptor gamma variable 9,T cell receptor gamma constant 1, ... | Authors: | Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q. | Deposit date: | 2023-05-10 | Release date: | 2024-05-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of human gamma delta T cell receptor-CD3 complex. Nature, 630, 2024
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4S2A
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![BU of 4s2a by Molmil](/molmil-images/mine/4s2a) | Crystal structure of Caulobacter crescentus ThiC with Fe4S4 cluster at remote site (holo form) | Descriptor: | IRON/SULFUR CLUSTER, PHOSPHATE ION, Phosphomethylpyrimidine synthase | Authors: | Fenwick, M.K, Mehta, A.P, Zhang, Y, Abdelwahed, S, Begley, T.P, Ealick, S.E. | Deposit date: | 2015-01-19 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Non-canonical active site architecture of the radical SAM thiamin pyrimidine synthase. Nat Commun, 6
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4S25
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![BU of 4s25 by Molmil](/molmil-images/mine/4s25) | Crystal structure of Arabidopsis thaliana ThiC with bound imidazole ribonucleotide, S-adenosylhomocysteine, Fe4S4 cluster and Zn (trigonal crystal form) | Descriptor: | 1,4-BUTANEDIOL, 1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole, CHLORIDE ION, ... | Authors: | Fenwick, M.K, Mehta, A.P, Zhang, Y, Abdelwahed, S, Begley, T.P, Ealick, S.E. | Deposit date: | 2015-01-19 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Non-canonical active site architecture of the radical SAM thiamin pyrimidine synthase. Nat Commun, 6
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1ZYW
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![BU of 1zyw by Molmil](/molmil-images/mine/1zyw) | Crystal Structure Of Mutant K8DP9SR58KP60G Of Scorpion alpha-Like Neurotoxin Bmk M1 From Buthus Martensii Karsch | Descriptor: | ACETATE ION, Alpha-like neurotoxin BmK-I, SULFATE ION | Authors: | Ye, X, Bosmans, F, Li, C, Zhang, Y, Wang, D.C, Tytgat, J. | Deposit date: | 2005-06-13 | Release date: | 2006-05-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis for the voltage-gated Na+ channel selectivity of the scorpion alpha-like toxin BmK M1 J.Mol.Biol., 353, 2005
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1ZUT
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![BU of 1zut by Molmil](/molmil-images/mine/1zut) | Crystal Structure Of Mutant K8DP9SR58K Of Scorpion alpha-Like Neurotoxin Bmk M1 From Buthus Martensii Karsch | Descriptor: | Alpha-like neurotoxin BmK-I, SULFATE ION | Authors: | Ye, X, Bosmans, F, Li, C, Zhang, Y, Wang, D.C, Tytgat, J. | Deposit date: | 2005-06-01 | Release date: | 2006-05-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for the voltage-gated Na+ channel selectivity of the scorpion alpha-like toxin BmK M1 J.Mol.Biol., 353, 2005
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1UO3
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![BU of 1uo3 by Molmil](/molmil-images/mine/1uo3) | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2003-09-15 | Release date: | 2004-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
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1UNW
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![BU of 1unw by Molmil](/molmil-images/mine/1unw) | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2003-09-15 | Release date: | 2004-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
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1UNZ
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![BU of 1unz by Molmil](/molmil-images/mine/1unz) | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2003-09-15 | Release date: | 2004-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
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7DRV
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![BU of 7drv by Molmil](/molmil-images/mine/7drv) | Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Liu, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H. | Deposit date: | 2020-12-29 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species. Cell, 184, 2021
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1ZXC
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![BU of 1zxc by Molmil](/molmil-images/mine/1zxc) | Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor | Descriptor: | (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | Authors: | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Zhang, Y, Jin, G, Cowling, R, Barone, D, Skotnicki, J.S. | Deposit date: | 2005-06-07 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 15, 2005
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1ZYV
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![BU of 1zyv by Molmil](/molmil-images/mine/1zyv) | Crystal Structure Of Mutant K8DP9SR58KV59G Of Scorpion alpha-Like Neurotoxin Bmk M1 From Buthus Martensii Karsch | Descriptor: | Alpha-like neurotoxin BmK-I | Authors: | Ye, X, Bosmans, F, Li, C, Zhang, Y, Wang, D.C, Tytgat, J. | Deposit date: | 2005-06-12 | Release date: | 2006-05-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for the voltage-gated Na+ channel selectivity of the scorpion alpha-like toxin BmK M1 J.Mol.Biol., 353, 2005
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1ZU3
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![BU of 1zu3 by Molmil](/molmil-images/mine/1zu3) | Crystal Structure Of Mutant K8A Of Scorpion alpha-Like Neurotoxin Bmk M1 From Buthus Martensii Karsch | Descriptor: | Alpha-like neurotoxin BmK-I | Authors: | Ye, X, Bosmans, F, Li, C, Zhang, Y, Wang, D.C, Tytgat, J. | Deposit date: | 2005-05-30 | Release date: | 2006-05-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structural basis for the voltage-gated Na+ channel selectivity of the scorpion alpha-like toxin BmK M1 J.Mol.Biol., 353, 2005
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5U9D
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![BU of 5u9d by Molmil](/molmil-images/mine/5u9d) | Discovery of a potent BTK inhibitor with a novel binding mode using parallel selections with a DNA-encoded chemical library | Descriptor: | (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cuozzo, J.W, Centrella, P.A, Gikunju, D, Habeshian, S, Hupp, C.D, Keefe, A.D, Sigel, E, Soutter, H.H, Thomson, H.A, Zhang, Y, Clark, M.A. | Deposit date: | 2016-12-16 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA-Encoded Chemical Library. Chembiochem, 18, 2017
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2AQB
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![BU of 2aqb by Molmil](/molmil-images/mine/2aqb) | Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli | Descriptor: | (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | Deposit date: | 2005-08-17 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli J.Med.Chem., 49, 2006
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