6WZT
 
 | | CryoEM structure of influenza hemagglutinin A/Victoria/361/2011 in complex with cyno antibody 3B10 | | 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, Cyno antibody heavy chain, ... | | 著者 | Qiu, Y, Zhou, Y, Darricarrere, N. | | 登録日 | 2020-05-14 | | 公開日 | 2021-03-10 | | 最終更新日 | 2021-03-17 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Broad neutralization of H1 and H3 viruses by adjuvanted influenza HA stem vaccines in nonhuman primates.
Sci Transl Med, 13, 2021
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4WHO
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7ABX
 | | Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID | | 分子名称: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | | 著者 | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | | 登録日 | 2020-09-09 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps.
Iucrj, 8, 2021
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5CF5
 | | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-7-[(DIMETHYL-1,3-THIAZOL-2-YL)AMINO]-10-ETHYL-3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.02,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | | 分子名称: | N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | 著者 | Sack, J.S. | | 登録日 | 2015-07-08 | | 公開日 | 2015-08-26 | | 最終更新日 | 2015-09-02 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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4WHS
 | | 4-fluorocatechol bound to Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5 | | 分子名称: | 4-fluorobenzene-1,2-diol, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Knoot, C.J, Purpero, V.M, Lipscomb, J.D. | | 登録日 | 2014-09-23 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Crystal structures of alkylperoxo and anhydride intermediates in an intradiol ring-cleaving dioxygenase.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5MPK
 | | Crystal structure of CREBBP bromodomain complexed with DK19 | | 分子名称: | CREB-binding protein, ~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2016-12-16 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5MES
 | | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29 | | 分子名称: | (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | 著者 | Hargreaves, D. | | 登録日 | 2016-11-16 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
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6XGC
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4WHP
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5YJO
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5CF8
 | | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | | 分子名称: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | 著者 | Sack, J.S. | | 登録日 | 2015-07-08 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms.
Acs Med.Chem.Lett., 6, 2015
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5MMG
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4GA3
 | | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260 | | 分子名称: | 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | 著者 | Liu, Y.-L, Zhang, Y, Oldfield, E. | | 登録日 | 2012-07-24 | | 公開日 | 2013-05-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.
ACS MED.CHEM.LETT., 4, 2013
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8DYA
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5MPN
 | | Crystal structure of CREBBP bromodomain complexed with FA26 | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, CREB-binding protein | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2016-12-16 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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7Y89
 | | Structure of the GPR17-Gi complex | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | 著者 | Ye, F, Chen, G. | | 登録日 | 2022-06-23 | | 公開日 | 2022-10-12 | | 最終更新日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | | 主引用文献 | Cryo-EM structure of G-protein-coupled receptor GPR17 in complex with inhibitory G protein.
MedComm (2020), 3, 2022
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5CF4
 | | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | | 分子名称: | N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | 著者 | Sack, J.S. | | 登録日 | 2015-07-08 | | 公開日 | 2015-08-26 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5CF6
 | | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-[(2S)-2,3-DIHYDROXYPROPYL]-3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO [7.3.0.02,6]DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | | 分子名称: | N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | 著者 | Sack, J.S. | | 登録日 | 2015-07-08 | | 公開日 | 2015-08-26 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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8OE4
 | | Cryo-EM structure of a pre-dimerized human IL-23 complete extracellular signaling complex. | | 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, Interleukin-12 receptor subunit beta-1,Death-associated protein kinase 1, ... | | 著者 | Bloch, Y, Felix, J, Savvides, S.N. | | 登録日 | 2023-03-10 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024
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6MT8
 | | E. coli DHFR complex modeled with two ligand states | | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, DIHYDROFOLIC ACID, ... | | 著者 | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | 登録日 | 2018-10-19 | | 公開日 | 2019-05-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate.
Struct Dyn., 6, 2019
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7AZ9
 | | Perdeuterated E65Q-TIM complexed with PHOSPHOGLYCOLOHYDROXAMATE | | 分子名称: | PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase | | 著者 | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | | 登録日 | 2020-11-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps.
Iucrj, 8, 2021
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7AZ4
 | | Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID | | 分子名称: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | | 著者 | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | | 登録日 | 2020-11-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.15 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps.
Iucrj, 8, 2021
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6MTH
 | | E. coli DHFR complex modeled with three ligand states | | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, DIHYDROFOLIC ACID, ... | | 著者 | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | 登録日 | 2018-10-19 | | 公開日 | 2019-05-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate.
Struct Dyn., 6, 2019
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7AZA
 | | Perdeuterated E65Q-TIM complexed with PHOSPHOGLYCOLOHYDROXAMATE | | 分子名称: | PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase | | 著者 | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | | 登録日 | 2020-11-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps.
Iucrj, 8, 2021
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7AZ3
 | | Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID | | 分子名称: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | | 著者 | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | | 登録日 | 2020-11-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.15 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps.
Iucrj, 8, 2021
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