5XV7
 
 | | SRPK1 in complex with Alectinib | | 分子名称: | 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, serine-arginine (SR) protein kinase 1 | | 著者 | Zeng, C, Ngo, J.C.K. | | 登録日 | 2017-06-26 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform
Cell Chem Biol, 25, 2018
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5WYG
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8WIU
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | 分子名称: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | | 著者 | Cao, D, Zhiyan, D, Xiong, B. | | 登録日 | 2023-09-25 | | 公開日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
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7E40
 | | Mechanism of Phosphate Sensing and Signaling Revealed by Rice SPX1-PHR2 Complex Structure | | 分子名称: | INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 1,Endolysin | | 著者 | Zhou, J, Hu, Q, Yao, D, Xing, W. | | 登録日 | 2021-02-09 | | 公開日 | 2021-11-10 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Mechanism of phosphate sensing and signaling revealed by rice SPX1-PHR2 complex structure.
Nat Commun, 12, 2021
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8IBQ
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | 分子名称: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | | 著者 | Cao, D, Zhiyan, D, Xiong, B. | | 登録日 | 2023-02-10 | | 公開日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
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8IDH
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | 分子名称: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | | 著者 | Cao, D, Zhiyan, D, Xiong, B. | | 登録日 | 2023-02-13 | | 公開日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
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8HRK
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8HRL
 | | SARS-CoV-2 Delta S-RBD-ACE2 | | 分子名称: | Processed angiotensin-converting enzyme 2, Spike protein S1 | | 著者 | Xu, J, Meng, F, Liu, N, Wang, H.W. | | 登録日 | 2022-12-15 | | 公開日 | 2023-12-20 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure
To Be Published
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7WR4
 | | Crystal structure of OspC3-calmodulin-caspase-4 complex | | 分子名称: | Calmodulin-1, Caspase-4, OspC3 | | 著者 | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | 登録日 | 2022-01-26 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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7WR2
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7WR0
 | | P32 of caspase-4 C258A mutant | | 分子名称: | Caspase-4 | | 著者 | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | 登録日 | 2022-01-26 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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7WR6
 | | Crystal structure of ADP-riboxanated caspase-4 in complex with Af1521 | | 分子名称: | ADP-ribose glycohydrolase AF_1521, Caspase-4, [[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | 著者 | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | 登録日 | 2022-01-26 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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7WR3
 | | Crystal structure of MBP-fused OspC3 in complex with calmodulin | | 分子名称: | Calmodulin-1, MBP-fused OspC3, NICOTINAMIDE, ... | | 著者 | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | 登録日 | 2022-01-26 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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7WR1
 | | P32 of caspase-4 C258A mutant in complex with OspC3 C-terminal ankyrin-repeat domain | | 分子名称: | Caspase-4, OspC3 | | 著者 | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | 登録日 | 2022-01-26 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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7WR5
 | | Crystal structure of OspC3-calmodulin-caspase-4 complex binding with 2'-aF-NAD+ | | 分子名称: | Calmodulin-1, Caspase-4, OspC3, ... | | 著者 | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | 登録日 | 2022-01-26 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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7XCZ
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7XDK
 | | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 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, BA7054 fab, ... | | 著者 | Liu, Z, Lui, S, Gao, Y. | | 登録日 | 2022-03-27 | | 公開日 | 2023-03-01 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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7XDB
 | | Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 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, BA7208 fab, ... | | 著者 | Liu, Z, Liu, S, Gao, Y.Z. | | 登録日 | 2022-03-26 | | 公開日 | 2023-03-01 | | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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7XDA
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7XDL
 | | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 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, BA7125 fab, ... | | 著者 | Liu, Z, Liu, S, Yuanzhu, G. | | 登録日 | 2022-03-27 | | 公開日 | 2023-03-15 | | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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3I46
 | | Crystal structure of beta toxin from Staphylococcus aureus F277A, P278A mutant with bound calcium ions | | 分子名称: | Beta-hemolysin, CALCIUM ION, CHLORIDE ION | | 著者 | Huseby, M, Shi, K, Kruse, A.C, Ohlendorf, D.H. | | 登録日 | 2009-07-01 | | 公開日 | 2010-07-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure and biological functions of beta toxin from Staphylococcus aureus: Role of the hydrophobic beta hairpin in virulence
To be Published
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3I41
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3I48
 | | Crystal structure of beta toxin from Staphylococcus aureus F277A, P278A mutant with bound magnesium ions | | 分子名称: | Beta-hemolysin, MAGNESIUM ION, PHOSPHATE ION | | 著者 | Huseby, M, Shi, K, Kruse, A.C, Ohlendorf, D.H. | | 登録日 | 2009-07-01 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure and biological functions of beta toxin from Staphylococcus aureus: Role of the hydrophobic beta hairpin in virulence
to be published, 2009
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3I5V
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5OF2
 | | The structural versatility of TasA in B. subtilis biofilm formation | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Spore coat-associated protein N | | 著者 | Roske, Y, Diehl, A, Ball, L, Chowdhury, A, Hiller, M, Moliere, N, Kramer, R, Nagaraj, M, Stoeppler, D, Worth, C.L, Schlegel, B, Leidert, M, Cremer, N, Eisenmenger, F, Lopez, D, Schmieder, P, Heinemann, U, Turgay, K, Akbey, U, Oschkinat, H. | | 登録日 | 2017-07-10 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Structural changes of TasA in biofilm formation ofBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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