7PLC
 
 | | Caulobacter crescentus xylonolactonase with D-xylose, P21 space group | | 分子名称: | FE (II) ION, SULFATE ION, Smp-30/Cgr1 family protein, ... | | 著者 | Paakkonen, J, Hakulinen, N, Rouvinen, J. | | 登録日 | 2021-08-30 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Three-dimensional structure of xylonolactonase from Caulobacter crescentus: A mononuclear iron enzyme of the 6-bladed beta-propeller hydrolase family.
Protein Sci., 31, 2022
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8SBJ
 | | Co-structure Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform complexed with brain penetrant inhibitors | | 分子名称: | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Knapp, M.S, Elling, R.A, Tang, J. | | 登録日 | 2023-04-03 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023
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8SBC
 | | Co-structure of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform and brain penetrant inhibitors | | 分子名称: | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | 著者 | Knapp, M.S, Elling, R.A, Tang, J. | | 登録日 | 2023-04-03 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023
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7PXH
 | | Emodepside-bound Drosophila Slo channel | | 分子名称: | (3~{S},6~{R},9~{S},12~{R},15~{S},18~{R},21~{S},24~{R})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, ... | | 著者 | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | 登録日 | 2021-10-08 | | 公開日 | 2021-12-15 | | 最終更新日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (2.59 Å) | | 主引用文献 | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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7PXG
 | | Verruculogen-bound Drosophila Slo channel | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ... | | 著者 | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | 登録日 | 2021-10-08 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (2.73 Å) | | 主引用文献 | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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7PXF
 | | Ca2+ free Drosophila Slo channel | | 分子名称: | Isoform J of Calcium-activated potassium channel slowpoke, MAGNESIUM ION, POTASSIUM ION | | 著者 | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | 登録日 | 2021-10-08 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | | 主引用文献 | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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7PXE
 | | Ca2+ bound Drosophila Slo channel | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ... | | 著者 | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | 登録日 | 2021-10-08 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (2.38 Å) | | 主引用文献 | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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6YLN
 | | mTurquoise2 SG P212121 - Directional optical properties of fluorescent proteins | | 分子名称: | EGFP, POTASSIUM ION | | 著者 | Myskova, J, Rybakova, O, Brynda, J, Lazar, J. | | 登録日 | 2020-04-07 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7PP7
 | | Thunberia alata 16:0-ACP desaturase | | 分子名称: | Acyl-[acyl-carrier-protein] 6-desaturase, FE (III) ION | | 著者 | Guy, J.E, Whittle, E, Cai, Y, Chai, J, Lindqvist, Y, Shanklin, J. | | 登録日 | 2021-09-13 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Regioselectivity mechanism of the Thunbergia alata Delta 6-16:0-acyl carrier protein desaturase.
Plant Physiol., 188, 2022
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6YM0
 | | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1) | | 分子名称: | Spike glycoprotein, heavy chain, light chain | | 著者 | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | | 登録日 | 2020-04-07 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (4.36 Å) | | 主引用文献 | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
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7PSU
 | | Structure of protein kinase CK2alpha mutant K198R associated with the Okur-Chung Neurodevelopmental Syndrome | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ... | | 著者 | Werner, C, Gast, A, Lindenblatt, D, Nickelsen, K, Niefind, K, Jose, J, Hochscherf, J. | | 登録日 | 2021-09-23 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structural and Enzymological Evidence for an Altered Substrate Specificity in Okur-Chung Neurodevelopmental Syndrome Mutant CK2 alpha Lys198Arg.
Front Mol Biosci, 9, 2022
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7Q2X
 | | Cryo-EM structure of clamped S.cerevisiae condensin-DNA complex (Form I) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Condensin complex subunit 1, ... | | 著者 | Lee, B.-G, Rhodes, J, Lowe, J. | | 登録日 | 2021-10-26 | | 公開日 | 2022-03-23 | | 最終更新日 | 2022-04-13 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Clamping of DNA shuts the condensin neck gate.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Q2Y
 | | Cryo-EM structure of clamped S.cerevisiae condensin-DNA complex (form II) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Condensin complex subunit 1, ... | | 著者 | Lee, B.-G, Rhodes, J, Lowe, J. | | 登録日 | 2021-10-26 | | 公開日 | 2022-03-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Clamping of DNA shuts the condensin neck gate.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Q2Z
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6YLO
 | | mTurquoise2 - Directionality of Optical Properties of Fluorescent Proteins | | 分子名称: | POTASSIUM ION, TETRAETHYLENE GLYCOL, mTurquoise2_C2221 | | 著者 | Myskova, J, Rybakova, O, Brynda, J, Lazar, J. | | 登録日 | 2020-04-07 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8HIT
 | | Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4 | | 分子名称: | Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL | | 著者 | Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J. | | 登録日 | 2022-11-21 | | 公開日 | 2023-02-01 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer.
Mabs, 15, 2023
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6PYD
 | | Structure of 3E9 antibody Fab bound to marinobufagenin | | 分子名称: | (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, 3E9 anti-marinobufagenin antibody Fab heavy chain, recloned with human IgG4 C region, ... | | 著者 | Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J. | | 登録日 | 2019-07-29 | | 公開日 | 2019-12-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6YLA
 | | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | | 登録日 | 2020-04-06 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
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6YF1
 | | FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution | | 分子名称: | (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A | | 著者 | Kallen, J. | | 登録日 | 2020-03-25 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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6YF2
 | | FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution | | 分子名称: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Kallen, J. | | 登録日 | 2020-03-25 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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6YF0
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6YF3
 | | FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution | | 分子名称: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Kallen, J. | | 登録日 | 2020-03-25 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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8T4M
 | | Closed human HCN1 F186C S264C bound to cAMP, reconstituted in LMNG + SPL | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | | 著者 | Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B. | | 登録日 | 2023-06-09 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.16 Å) | | 主引用文献 | Structural basis for hyperpolarization-dependent opening of human HCN1 channel.
Nat Commun, 15, 2024
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8HAY
 | | d4-bound btDPP4 | | 分子名称: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4 | | 著者 | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | | 登録日 | 2022-10-27 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
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2BM2
 | | human beta-II tryptase in complex with 4-(3-Aminomethyl-phenyl)- piperidin-1-yl-(5-phenethyl- pyridin-3-yl)-methanone | | 分子名称: | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE, HUMAN BETA2 TRYPTASE | | 著者 | Maignan, S, Guilloteau, J.-P, Dupuy, A, Levell, J, Astles, P, Eastwood, P, Cairns, J, Houille, O, Aldous, S, Merriman, G, Whiteley, B, Pribish, J, Czekaj, M, Liang, G, Davidson, J, Harrison, T, Morley, A, Watson, S, Fenton, G, Mccarthy, C, Romano, J, Mathew, R, Engers, D, Gardyan, M, Sides, K, Kwong, J, Tsay, J, Rebello, S, Shen, L, Wang, J, Luo, Y, Giardino, O, Lim, H.-K, Smith, K, Pauls, H. | | 登録日 | 2005-03-09 | | 公開日 | 2005-03-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure Based Design of 4-(3-Aminomethylphenyl) Piperidinyl-1-Amides: Novel, Potent, Selective, and Orally Bioavailable Inhibitors of Bii Tryptase
Bioorg.Med.Chem., 13, 2005
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