7LQ0
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6DTN
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6D5Z
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2FX3
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![BU of 2fx3 by Molmil](/molmil-images/mine/2fx3) | Crystal Structure Determination of E. coli Elongation Factor, Tu using a Twinned Data Set | Descriptor: | Elongation factor Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Heffron, S.E, Moeller, R, Jurnak, F. | Deposit date: | 2006-02-03 | Release date: | 2006-03-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Solving the structure of Escherichia coli elongation factor Tu using a twinned data set. Acta Crystallogr.,Sect.D, 62, 2006
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6DO6
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![BU of 6do6 by Molmil](/molmil-images/mine/6do6) | NMR solution structure of wild type apo hFABP1 at 308 K | Descriptor: | Fatty acid-binding protein, liver | Authors: | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | Deposit date: | 2018-06-09 | Release date: | 2018-12-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists. J. Biol. Chem., 294, 2019
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6DD3
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![BU of 6dd3 by Molmil](/molmil-images/mine/6dd3) | Crystal structure of the double mutant (D52N/D407A) of NT5C2-537X in the active state | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-09 | Release date: | 2018-07-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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6DDC
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![BU of 6ddc by Molmil](/molmil-images/mine/6ddc) | Crystal structure of the single mutant (D52N) of NT5C2-537X in the basal state, Northeast Structural Genomics Consortium Target | Descriptor: | Cytosolic purine 5'-nucleotidase, MAGNESIUM ION, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2018-05-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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8E20
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6D6V
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![BU of 6d6v by Molmil](/molmil-images/mine/6d6v) | CryoEM structure of Tetrahymena telomerase with telomeric DNA at 4.8 Angstrom resolution | Descriptor: | DNA (5'-D(P*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*G)-3'), RNA (159-MER), Telomerase associated protein p65, ... | Authors: | Jiang, J, Wang, Y, Susac, L, Chan, H, Basu, R, Zhou, Z.H, Feigon, J. | Deposit date: | 2018-04-22 | Release date: | 2018-05-30 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structure of Telomerase with Telomeric DNA. Cell, 173, 2018
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6DMG
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![BU of 6dmg by Molmil](/molmil-images/mine/6dmg) | A multiconformer ligand model of EK6 bound to ERK2 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | Authors: | Hudson, B.M, van Zundert, G.C.P, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | Deposit date: | 2018-06-05 | Release date: | 2018-12-19 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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7LV3
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![BU of 7lv3 by Molmil](/molmil-images/mine/7lv3) | Crystal structure of human protein kinase G (PKG) R-C complex in inhibited state | Descriptor: | 1,2-ETHANEDIOL, Isoform Beta of cGMP-dependent protein kinase 1, MANGANESE (II) ION, ... | Authors: | Sharma, R, Lying, Q, Casteel, D, Kim, C. | Deposit date: | 2021-02-23 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | An auto-inhibited state of protein kinase G and implications for selective activation. Elife, 11, 2022
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7LDY
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![BU of 7ldy by Molmil](/molmil-images/mine/7ldy) | HIV-1 Protease WT (NL4-3) in Complex with TMC-126 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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6DE3
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![BU of 6de3 by Molmil](/molmil-images/mine/6de3) | Crystal structure of the double mutant (R39Q/D52N) of the full-length NT5C2 in the active state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, MAGNESIUM ION, ... | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-11 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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7LE0
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![BU of 7le0 by Molmil](/molmil-images/mine/7le0) | HIV-1 Protease WT (NL4-3) in Complex with a Darunavir Derivative | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LE2
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![BU of 7le2 by Molmil](/molmil-images/mine/7le2) | HIV-1 Protease WT (NL4-3) in Complex with UMass4 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.971 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LE1
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![BU of 7le1 by Molmil](/molmil-images/mine/7le1) | HIV-1 Protease WT (NL4-3) in Complex with UMass2 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LDZ
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![BU of 7ldz by Molmil](/molmil-images/mine/7ldz) | HIV-1 Protease WT (NL4-3) in Complex with GRL-98065 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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6DKK
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![BU of 6dkk by Molmil](/molmil-images/mine/6dkk) | Structure of BoNT | Descriptor: | Botulinum neurotoxin type A, PHOSPHATE ION | Authors: | Lam, K, Jin, R. | Deposit date: | 2018-05-29 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1. Nat Commun, 9, 2018
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8DUL
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![BU of 8dul by Molmil](/molmil-images/mine/8dul) | Cryo-EM Structure of Antibody SKT05 in complex with Western Equine Encephalitis Virus spike (local refinement from VLP particles) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab SKT05 heavy chain, ... | Authors: | Cerutti, G, Verardi, R, Roederer, M, Shapiro, L. | Deposit date: | 2022-07-27 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (4.17 Å) | Cite: | Vaccine elicitation and structural basis for antibody protection against alphaviruses. Cell, 186, 2023
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6DMJ
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![BU of 6dmj by Molmil](/molmil-images/mine/6dmj) | A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain | Descriptor: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4 | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | Deposit date: | 2018-06-05 | Release date: | 2018-12-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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8DYJ
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![BU of 8dyj by Molmil](/molmil-images/mine/8dyj) | Crystal structure of human methylmalonyl-CoA mutase in complex with ADP and cob(II)alamin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COBALAMIN, Methylmalonyl-CoA mutase, ... | Authors: | Mascarenhas, R.N, Gouda, H, Banerjee, R. | Deposit date: | 2022-08-04 | Release date: | 2023-07-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B 12 repair. Proc.Natl.Acad.Sci.USA, 120, 2023
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8DUN
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![BU of 8dun by Molmil](/molmil-images/mine/8dun) | Cryo-EM Structure of Antibody SKW11 in complex with Western Equine Encephalitis Virus spike (local refinement from VLP particles) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody SKW11 heavy chain, ... | Authors: | Cerutti, G, Verardi, R, Roederer, M, Shapiro, L. | Deposit date: | 2022-07-27 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (5.84 Å) | Cite: | Vaccine elicitation and structural basis for antibody protection against alphaviruses. Cell, 186, 2023
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6DDO
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![BU of 6ddo by Molmil](/molmil-images/mine/6ddo) | Crystal structure of the single mutant (D52N) of the full-length NT5C2 in the basal state | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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8DYL
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![BU of 8dyl by Molmil](/molmil-images/mine/8dyl) | Crystal structure of human methylmalonyl-CoA mutase bound to aquocobalamin | Descriptor: | COBALAMIN, GLYCEROL, Methylmalonyl-CoA mutase, ... | Authors: | Mascarenhas, R.N, Gouda, H, Banerjee, R. | Deposit date: | 2022-08-04 | Release date: | 2023-07-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B 12 repair. Proc.Natl.Acad.Sci.USA, 120, 2023
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7M5H
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![BU of 7m5h by Molmil](/molmil-images/mine/7m5h) | Crystal structure of conserved protein from Enterococcus faecalis V583 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Nucleoside 2-deoxyribosyltransferase | Authors: | Nocek, B, Wu, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2021-03-23 | Release date: | 2021-04-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of conserved protein from Enterococcus faecalis V583 To Be Published
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