7NMN
 
 | | Rabbit HCN4 stabilised in amphipol A8-35 | | 分子名称: | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Rabbit HCN4 | | 著者 | Chaves-Sanjuan, A. | | 登録日 | 2021-02-23 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Gating movements and ion permeation in HCN4 pacemaker channels.
Mol.Cell, 81, 2021
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7NP0
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-nitrophenyl)boronic acid. | | 分子名称: | Ornithine carbamoyltransferase, PHOSPHATE ION, p-nitrophenylboronic acid | | 著者 | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | 登録日 | 2021-02-26 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NNV
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with carbamoyl phosphate. | | 分子名称: | 1,2-ETHANEDIOL, Ornithine carbamoyltransferase, PHOSPHATE ION, ... | | 著者 | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | 登録日 | 2021-02-25 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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6U8D
 | | Crystal structure of hepatitis C virus IRES junction IIIabc in complex with Fab HCV2 | | 分子名称: | Heavy chain of Fab HCV2, JIIIabc RNA (68-MER), Light chain of Fab HCV2 | | 著者 | Koirala, D, Lewicka, A, Koldobskaya, Y, Huang, H, Piccirilli, J.A. | | 登録日 | 2019-09-04 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.807 Å) | | 主引用文献 | Synthetic Antibody Binding to a Preorganized RNA Domain of Hepatitis C Virus Internal Ribosome Entry Site Inhibits Translation.
Acs Chem.Biol., 15, 2020
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8EDF
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7NOV
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-methyl-3-nitrophenyl)boronic acid. | | 分子名称: | (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron, Ornithine carbamoyltransferase, PHOSPHATE ION | | 著者 | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | 登録日 | 2021-02-26 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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6LW8
 | | Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis | | 分子名称: | (4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine, DNA ligase A, GLYCEROL, ... | | 著者 | Ramachandran, R, Afsar, M, Shukla, A. | | 登録日 | 2020-02-07 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A.
J.Struct.Biol., 213, 2021
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6O6P
 | | Structure of the regulator FasR from Mycobacterium tuberculosis in complex with DNA | | 分子名称: | DNA-forward, DNA-reverse, TetR family transcriptional regulator | | 著者 | Larrieux, N, Trajtenberg, F, Lara, J, Gramajo, H, Buschiazzo, A. | | 登録日 | 2019-03-07 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.851 Å) | | 主引用文献 | Mycobacterium tuberculosis FasR senses long fatty acyl-CoA through a tunnel and a hydrophobic transmission spine.
Nat Commun, 11, 2020
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6M2R
 | | X-ray structure of a functional Drosophila dopamine transporter in L-norepinephrine bound form | | 分子名称: | Antibody fragment 9D5 Light chain, Antibody fragment 9D5 heavy chain, CHLORIDE ION, ... | | 著者 | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | | 登録日 | 2020-02-28 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | | 主引用文献 | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
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6M38
 | | X-ray structure of a Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) in S-duloxetine bound form | | 分子名称: | (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine, Antibody fragment 9D5 heavy chain, Antibody fragment 9D5 light chain, ... | | 著者 | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | | 登録日 | 2020-03-02 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.001 Å) | | 主引用文献 | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
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6OVB
 | | Crystal structure of a Bacillus thuringiensis Cry1Da tryptic core variant | | 分子名称: | Active core crystal toxin protein 1D | | 著者 | Rydel, T.J, Halls, C, Evdokimov, A.G, Beishir, S.C. | | 登録日 | 2019-05-07 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.611 Å) | | 主引用文献 | Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith).
Appl.Environ.Microbiol., 85, 2019
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6M0Z
 | | X-ray structure of Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in L-norepinephrine bound form | | 分子名称: | Antibody fragment (Fab) 9D5 Light chain, Antibody fragment (Fab) 9D5 heavy chain, CHLORIDE ION, ... | | 著者 | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | | 登録日 | 2020-02-24 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
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7N30
 | | Elongating 70S ribosome complex in a hybrid-H2* pre-translocation (PRE-H2*) conformation | | 分子名称: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | | 著者 | Rundlet, E.J, Holm, M, Schacherl, M, Natchiar, K.S, Altman, R.B, Spahn, C.M.T, Myasnikov, A.G, Blanchard, S.C. | | 登録日 | 2021-05-30 | | 公開日 | 2021-07-14 | | 最終更新日 | 2021-08-11 | | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | | 主引用文献 | Structural basis of early translocation events on the ribosome.
Nature, 595, 2021
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7N1E
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8E0G
 | | Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with BU72 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ... | | 著者 | Munro, T.A. | | 登録日 | 2022-08-09 | | 公開日 | 2023-10-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Reanalysis of a mu opioid receptor crystal structure reveals a covalent adduct with BU72.
Bmc Biol., 21, 2023
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6OXB
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6OY2
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-25 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | | 著者 | 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. | | 登録日 | 2019-05-14 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
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6OPT
 | | HIV-1 Protease NL4-3 V82F, I84V Mutant in complex with darunavir | | 分子名称: | (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, SULFATE ION | | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | 登録日 | 2019-04-25 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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7Q0E
 | | Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | | 分子名称: | BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2021-10-14 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
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7NP4
 | | cAMP-bound rabbit HCN4 stabilized in LMNG-CHS detergent mixture | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | | 著者 | Giese, H, Chaves-Sanjuan, A, Saponaro, A, Clarke, O, Bolognesi, M, Mancia, F, Hendrickson, W.A, Thiel, G, Santoro, B, Moroni, A. | | 登録日 | 2021-02-26 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Gating movements and ion permeation in HCN4 pacemaker channels.
Mol.Cell, 81, 2021
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7NP3
 | | cAMP-free rabbit HCN4 stabilized in LMNG-CHS detergent mixture | | 分子名称: | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | | 著者 | Giese, H.M, Chaves-Sanjuan, A, Saponaro, A, Clarke, O, Bolognesi, M, Mancia, F, Hendrickson, W.A, Thiel, G, Santoro, B, Moroni, A. | | 登録日 | 2021-02-26 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Gating movements and ion permeation in HCN4 pacemaker channels.
Mol.Cell, 81, 2021
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8F5Y
 | | Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 | | 分子名称: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T. | | 登録日 | 2022-11-15 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR.
Nucleic Acids Res., 52, 2024
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8F9G
 | | HIV Env germline targeting BG505_MD64_N332-GT5 SOSIP in complex with V3-glycan polyclonal Fab isolated from immunized BG18HCgl knock-in mice | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505_MD64_N332-GT5 gp120, ... | | 著者 | Ozorowski, G, Torres, J.L, Ward, A.B. | | 登録日 | 2022-11-23 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies.
Science, 384, 2024
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8F92
 | | HIV Env BG505_MD39_B11 SOSIP boosting trimer in complex with B11_d77.7 mouse Fab and RM20A3 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B11_d77.7 Fab heavy chain, ... | | 著者 | Torres, J.L, Ozorowski, G, Ward, A.B. | | 登録日 | 2022-11-23 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies.
Science, 384, 2024
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7NDO
 | | ER-PRS*(-) (L536S, L372R) in complex with raloxifene | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Estrogen receptor, ... | | 著者 | Kriegel, M, Muller, Y.A. | | 登録日 | 2021-02-02 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A PROSS-designed extensively mutated estrogen receptor alpha variant displays enhanced thermal stability while retaining native allosteric regulation and structure.
Sci Rep, 11, 2021
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