6OPV
| HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
|
|
6OPZ
| HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, I54L, A71V, L76V, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
|
|
8P0L
| Crystal structure of human O-GlcNAcase in complex with an S-linked CKII peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Protein O-GlcNAcase, ... | Authors: | Males, A, Davies, G.J, Calvelo, M, Alteen, M.G, Vocadlo, D.J, Rovira, C. | Deposit date: | 2023-05-10 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human O -GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics. Acs Catalysis, 13, 2023
|
|
3R6V
| Crystal structure of aspartase from Bacillus sp. YM55-1 with bound L-aspartate | Descriptor: | ASPARTIC ACID, Aspartase, CALCIUM ION | Authors: | Fibriansah, G, Puthan Veetil, V, Poelarends, G.J, Thunnissen, A.-M.W.H. | Deposit date: | 2011-03-22 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the catalytic mechanism of aspartate ammonia lyase. Biochemistry, 50, 2011
|
|
6QZN
| H30 MnSOD-3 Mutant III | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] 2, ... | Authors: | Bonetta, R, Trinh, C.H, Hunter, G.J, Hunter, T. | Deposit date: | 2019-03-11 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | H30 MnSOD-3 Mutant II To Be Published
|
|
6OOT
| HIV-1 Protease NL4-3 L89V, L90M Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, NL4-3 PROTEASE, SULFATE ION | Authors: | Henes, M, Kosovrasti, K, Lockbaum, G.J, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A, Whitfield, T.W. | Deposit date: | 2019-04-23 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance. Biochemistry, 58, 2019
|
|
3S0M
| A Structural Element that Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Saylor, B.T, Reinhardt, L.A, Lu, Z, Shukla, M.S, Cleland, W.W, Allen, K.N, Richards, N.G.J. | Deposit date: | 2011-05-13 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A structural element that facilitates proton-coupled electron transfer in oxalate decarboxylase. Biochemistry, 51, 2012
|
|
6OY1
| HIV-1 Protease NL4-3 WT in Complex with LR2-26 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
|
|
1A3H
| |
8OZ1
| CjCel5D endo-xyloglucanase bounc to CB665 covalent inhibitor | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, BORIC ACID, Cellulase, ... | Authors: | McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-05-06 | Release date: | 2024-02-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System. Acs Cent.Sci., 9, 2023
|
|
6QZM
| H30 MnSOD-3 Mutant I | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] 2, ... | Authors: | Bonetta, R, Trinh, C.H, Hunter, G.J, Hunter, T. | Deposit date: | 2019-03-11 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | H30 MnSOD-3 Mutant II To Be Published
|
|
6OXO
| HIV-1 Protease NL4-3 WT in Complex with LR2-91 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
|
|
6OXP
| HIV-1 Protease NL4-3 WT in Complex with UMass3 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
|
|
6OXS
| HIV-1 Protease NL4-3 WT in Complex with LR-76 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
|
|
3SOL
| |
182D
| DNA-NOGALAMYCIN INTERACTIONS: THE CRYSTAL STRUCTURE OF D(TGATCA) COMPLEXED WITH NOGALAMYCIN | Descriptor: | DNA (5'-D(*TP*GP*AP*TP*CP*A)-3'), NOGALAMYCIN | Authors: | Smith, C.K, Davies, G.J, Dodson, E.J, Moore, M.H. | Deposit date: | 1994-07-28 | Release date: | 1994-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | DNA-nogalamycin interactions: the crystal structure of d(TGATCA) complexed with nogalamycin. Biochemistry, 34, 1995
|
|
1D14
| STRUCTURE OF 11-DEOXYDAUNOMYCIN BOUND TO DNA CONTAINING A PHOSPHOROTHIOATE | Descriptor: | 6-DEOXYDAUNOMYCIN, DNA (5'-D(*CP*GP*TP*(AS)P*CP*G)-3') | Authors: | Williams, L.D, Egli, M, Ughetto, G, Van Der Marel, G.A, Van Boom, J.H, Quigley, G.J, Wang, A.H.-J, Rich, A, Frederick, C.A. | Deposit date: | 1989-10-20 | Release date: | 1990-10-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of 11-deoxydaunomycin bound to DNA containing a phosphorothioate. J.Mol.Biol., 215, 1990
|
|
6OHW
| Structural basis for human coronavirus attachment to sialic acid receptors. Apo-HCoV-OC43 S | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike surface glycoprotein, ... | Authors: | Tortorici, M.A, Walls, A.C, Lang, Y, Wang, C, Li, Z, Koerhuis, D, Boons, G.J, Bosch, B.J, Rey, F.A, de Groot, R, Veesler, D. | Deposit date: | 2019-04-07 | Release date: | 2019-06-05 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for human coronavirus attachment to sialic acid receptors. Nat.Struct.Mol.Biol., 26, 2019
|
|
1D40
| BASE SPECIFIC BINDING OF COPPER(II) TO Z-DNA: THE 1.3-ANGSTROMS SINGLE CRYSTAL STRUCTURE OF D(M5CGUAM5CG) IN THE PRESENCE OF CUCL2 | Descriptor: | COPPER (II) CHLORIDE, COPPER (II) ION, DNA (5'-D(*(5CM)P*(CU)GP*UP*AP*(5CM)P*(CU)G)-3') | Authors: | Geierstanger, B.H, Kagawa, T.F, Chen, S.-L, Quigley, G.J, Ho, P.S. | Deposit date: | 1991-05-07 | Release date: | 1992-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Base-specific binding of copper(II) to Z-DNA. The 1.3-A single crystal structure of d(m5CGUAm5CG) in the presence of CuCl2. J.Biol.Chem., 266, 1991
|
|
7LUP
| Human TRiC/CCT complex with reovirus outer capsid protein sigma-3 | Descriptor: | Outer capsid protein sigma-3, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | Authors: | Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S. | Deposit date: | 2021-02-22 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LUM
| Human TRiC in ATP/AlFx closed state | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | Authors: | Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S. | Deposit date: | 2021-02-22 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
3RP9
| Crystal Structure of the apo MapK from Toxoplasma Gondii, 25.m01780 or TGME49_007820 | Descriptor: | Mitogen-activated protein kinase, SULFATE ION | Authors: | Wernimont, A.K, Crombet, L, Pizarro, J.C, Crowther, G.J, Van Voorhis, W.C, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-04-26 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the apo MapK from Toxoplasma Gondii, 25.m01780 or TGME49_007820 To be Published
|
|
7LRU
| Crystal structure of SFPQ-NONO-SFPQ chimeric protein homodimer | Descriptor: | Splicing factor, proline- and glutamine-rich,Isoform 2 of Non-POU domain-containing octamer-binding protein,Isoform Short of Splicing factor, proline- and glutamine-rich | Authors: | Marshall, A.C, Bond, C.S, Mohnen, I, Knott, G.J. | Deposit date: | 2021-02-17 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of SFPQ-NONO-SFPQ chimeric protein homodimer To Be Published
|
|
7M9L
| HIV-1 Protease WT (NL4-3) in Complex with LR4-15 | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | HIV-1 Protease WT (NL4-3) in Complex with LR4-15 To Be Published
|
|
7MAD
| HIV-1 Protease (I84V) in Complex with PD5 (LR4-22) | Descriptor: | Protease, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | HIV-1 Protease (I84V) in Complex with PD5 (LR4-22) To Be Published
|
|