4K06
 
 | | Crystal structure of MTX-II from Bothrops brazili venom complexed with polyethylene glycol | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, MTX-II, ... | | Authors: | Fernandes, C.A.H, Comparetti, E.J, Borges, R.J, Fontes, M.R.M. | | Deposit date: | 2013-04-03 | | Release date: | 2013-11-13 | | Last modified: | 2013-11-27 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural bases for a complete myotoxic mechanism: Crystal structures of two non-catalytic phospholipases A2-like from Bothrops brazili venom.
Biochim.Biophys.Acta, 1834, 2013
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4K09
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7LEN
 | | Crystal structure of the epidermal growth factor receptor extracellular region with R84K mutation in complex with epiregulin crystallized with trehalose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hu, C, Leche II, C.A, Stayrook, S.E, Ferguson, K.M, Lemmon, M.A. | | Deposit date: | 2021-01-14 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Glioblastoma mutations alter EGFR dimer structure to prevent ligand bias.
Nature, 602, 2022
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7LFR
 | | Crystal structure of the epidermal growth factor receptor extracellular region with R84K mutation in complex with epiregulin crystallized with spermine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, Proepiregulin, ... | | Authors: | Hu, C, Leche II, C.A, Stayrook, S.E, Ferguson, K.M, Lemmon, M.A. | | Deposit date: | 2021-01-18 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Glioblastoma mutations alter EGFR dimer structure to prevent ligand bias.
Nature, 602, 2022
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7LFS
 | | Crystal structure of the epidermal growth factor receptor extracellular region with A265V mutation in complex with epiregulin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 4 of Epidermal growth factor receptor, ... | | Authors: | Hu, C, Leche II, C.A, Stayrook, S.E, Ferguson, K.M, Lemmon, M.A. | | Deposit date: | 2021-01-18 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Glioblastoma mutations alter EGFR dimer structure to prevent ligand bias.
Nature, 602, 2022
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5A0Q
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2OK9
 | | PrTX-I-BPB | | Descriptor: | ISOPROPYL ALCOHOL, Phospholipase A2 homolog 1, p-Bromophenacyl bromide | | Authors: | Marchi-Salvador, D.P, Fernandes, C.A.H, Soares, A.M, Fontes, M.R. | | Deposit date: | 2007-01-16 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of a phospholipase A(2) homolog complexed with p-bromophenacyl bromide reveals important structural changes associated with the inhibition of myotoxic activity.
Biochim.Biophys.Acta, 1794, 2009
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2PWZ
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3DYR
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6DGY
 | | Crystal structure of HIV-1 Protease NL4-3 WT in complex with UMass1 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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6DH7
 | | Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass1 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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6DJB
 | | Structure of human Volume Regulated Anion Channel composed of SWELL1 (LRRC8A) | | Descriptor: | Volume-regulated anion channel subunit LRRC8A | | Authors: | Kefauver, J.M, Saotome, K, Pallesen, J, Cottrell, C.A, Ward, A.B, Patapoutian, A. | | Deposit date: | 2018-05-24 | | Release date: | 2018-08-15 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structure of the human volume regulated anion channel.
Elife, 7, 2018
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6DH2
 | | Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass6 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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6DNB
 | | Crystal structure of T110A:S256A mutant human Glutamate oxaloacetate transaminase 1 (GOT1) | | Descriptor: | Aspartate aminotransferase, cytoplasmic, GLYCEROL, ... | | Authors: | Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A. | | Deposit date: | 2018-06-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
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6DIT
 | | Crystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01-19) | | Descriptor: | NS3 protease, ZINC ION, pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, ... | | Authors: | Matthew, A.N, Schiffer, C.A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
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6DH3
 | | Crystal structure of HIV-1 Protease NL4-3 V82I 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, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.908 Å) | | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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6EDM
 | | Structure of apo-CDD-1 beta-lactamase | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2018-08-09 | | Release date: | 2019-08-14 | | Last modified: | 2020-03-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The crystal structures of CDD-1, the intrinsic class D beta-lactamase from the pathogenic Gram-positive bacterium Clostridioides difficile, and its complex with cefotaxime.
J.Struct.Biol., 208, 2019
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6EFU
 | | Crystal structure of the double mutant L167W / P172L of the beta-glucosidase from Trichoderma harzianum | | Descriptor: | Beta-glucosidase, NITRATE ION | | Authors: | Morais, M.A.B, Santos, C.A, Tonoli, C.C.C, Souza, A.P, Murakami, M.T. | | Deposit date: | 2018-08-17 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An engineered GH1 beta-glucosidase displays enhanced glucose tolerance and increased sugar release from lignocellulosic materials.
Sci Rep, 9, 2019
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6FIJ
 | | Structure of the loading/condensing region (SAT-KS-MAT) of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | | Authors: | Herbst, D.A, Jakob, R.P, Townsend, C.A, Maier, T. | | Deposit date: | 2018-01-18 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | The structural organization of substrate loading in iterative polyketide synthases.
Nat. Chem. Biol., 14, 2018
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6FL8
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP | | Descriptor: | 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2018-01-25 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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6ET5
 | | Reaction centre light harvesting complex 1 from Blc. virids | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Qian, P, Siebert, C.A, Canniffe, D.P, Wang, P, Hunter, C.N. | | Deposit date: | 2017-10-25 | | Release date: | 2018-04-11 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structure of the Blastochloris viridis LH1-RC complex at 2.9 angstrom.
Nature, 556, 2018
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6FIK
 | | ACP2 crosslinked to the KS of the loading/condensing region of the CTB1 PKS | | Descriptor: | Polyketide synthase | | Authors: | Herbst, D.A, Huitt-Roehl, C.R, Jakob, R.P, Townsend, C.A, Maier, T. | | Deposit date: | 2018-01-18 | | Release date: | 2018-03-21 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (7.1 Å) | | Cite: | The structural organization of substrate loading in iterative polyketide synthases.
Nat. Chem. Biol., 14, 2018
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6FL3
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ... | | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2018-01-25 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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6FKR
 | | Crystal structure of the dolphin proline-rich antimicrobial peptide Tur1A bound to the Thermus thermophilus 70S ribosome | | Descriptor: | 16 ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Mardirossian, M, Perebaskine, N, Benincasa, M, Gambato, S, Hofmann, S, Huter, P, Muller, C, Hilpert, K, Innis, C.A, Tossi, A, Wilson, D.N. | | Deposit date: | 2018-01-24 | | Release date: | 2018-03-28 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Dolphin Proline-Rich Antimicrobial Peptide Tur1A Inhibits Protein Synthesis by Targeting the Bacterial Ribosome.
Cell Chem Biol, 25, 2018
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6FJK
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2018-01-22 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.025 Å) | | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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