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7TAI
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BU of 7tai by Molmil
Structure of STEAP2 in complex with ligands
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Wang, L, Chen, K.H, Zhou, M.
登録日2021-12-20
公開日2023-01-25
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of stepwise electron transfer in six-transmembrane epithelial antigen of the prostate (STEAP) 1 and 2.
Elife, 12, 2023
5J3F
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BU of 5j3f by Molmil
NMR solution structure of [Rp, Rp]-PT dsDNA
分子名称: DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3')
著者Lan, W, Hu, Z, Cao, C.
登録日2016-03-30
公開日2016-11-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
5J3G
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BU of 5j3g by Molmil
Solution NMR structure of PT-free dsDNA from Streptomyces lividans
分子名称: DNA (5'-D(*CP*GP*GP*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*GP*CP*CP*G)-3')
著者Lan, W, Cao, C.
登録日2016-03-30
公開日2016-06-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
7TTI
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BU of 7tti by Molmil
Human KCC1 bound with VU0463271 In an outward-open state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide, Solute carrier family 12 member 4
著者Zhao, Y.X, Cao, E.H.
登録日2022-02-01
公開日2022-06-29
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TTH
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BU of 7tth by Molmil
Human potassium-chloride cotransporter 1 in inward-open state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, POTASSIUM ION, Solute carrier family 12 member 4
著者Zhao, Y.X, Cao, E.H.
登録日2022-02-01
公開日2022-06-29
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
5J3I
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BU of 5j3i by Molmil
NMR solution structure of [Sp, Sp]-PT dsDNA
分子名称: DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3')
著者Lan, W, Hu, Z, Cao, C.
登録日2016-03-30
公開日2016-11-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
7TWD
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BU of 7twd by Molmil
Structure of AAGAB C-terminal dimerization domain
分子名称: Alpha- and gamma-adaptin-binding protein p34, PHOSPHATE ION
著者Tian, Y, Yin, Q.
登録日2022-02-07
公開日2023-01-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Oligomer-to-monomer transition underlies the chaperone function of AAGAB in AP1/AP2 assembly.
Proc.Natl.Acad.Sci.USA, 120, 2023
5JYK
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BU of 5jyk by Molmil
Deg9 crystal under 289K
分子名称: GLYCEROL, Protease Do-like 9
著者Ouyang, M, Zhang, L.X.
登録日2016-05-14
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
8OJQ
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BU of 8ojq by Molmil
Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 T778 mutant with bound phosphate
分子名称: PHOSPHATE ION, Phosphoenolpyruvate carboxylase 1
著者Haesaerts, S, Loris, R, Larsen, P.
登録日2023-03-24
公開日2024-04-03
実験手法X-RAY DIFFRACTION (3.04938388 Å)
主引用文献Amino acid changes that deregulate PHOSPHOENOLPYRUVATE CARBOXYLASE in plants
To Be Published
8OJZ
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BU of 8ojz by Molmil
Arabidopsis thaliana Phosphoenolpyruvate carboxylase 1 (PPC1) G678S mutant
分子名称: PHOSPHATE ION, Phosphoenolpyruvate carboxylase 1
著者Loris, R, Haesaerts, S, Larsen, P.B.
登録日2023-03-25
公開日2024-04-03
実験手法X-RAY DIFFRACTION (3.247811 Å)
主引用文献Amino acid changes that deregulate PHOSPHOENOLPYRUVATE CARBOXYLASE in plants
To Be Published
6YMV
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BU of 6ymv by Molmil
Cryo-EM structure of yeast mitochondrial RNA polymerase partially-melted transcription initiation complex (PmIC)
分子名称: DNA (33-MER) NON-TEMPLATE, DNA (33-MER) template, DNA-directed RNA polymerase, ...
著者Das, K, Patel, S.S.
登録日2020-04-10
公開日2020-12-02
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM Structures Reveal Transcription Initiation Steps by Yeast Mitochondrial RNA Polymerase.
Mol.Cell, 81, 2021
5IL9
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BU of 5il9 by Molmil
Crystal structure of Deg9
分子名称: GLYCEROL, Protease Do-like 9
著者Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
登録日2016-03-04
公開日2017-03-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
4XDP
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BU of 4xdp by Molmil
Crystal structure of human KDM4C catalytic domain bound to tris
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2014-12-19
公開日2015-03-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
8X43
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BU of 8x43 by Molmil
human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2
分子名称: Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Ma, D, Guo, J.
登録日2023-11-15
公開日2024-01-17
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
4XDO
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BU of 4xdo by Molmil
Crystal structure of human KDM4C catalytic domain with OGA
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Lysine-specific demethylase 4C, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2014-12-19
公開日2015-03-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
6S3S
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BU of 6s3s by Molmil
Structure of the FliPQR complex from the flagellar type 3 secretion system of Vibrio mimicus.
分子名称: Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, Flagellar biosynthetic protein FliR
著者Kuhlen, L, Johnson, S, Deme, J.C, Lea, S.M.
登録日2019-06-25
公開日2020-03-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献The substrate specificity switch FlhB assembles onto the export gate to regulate type three secretion.
Nat Commun, 11, 2020
6S3L
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BU of 6s3l by Molmil
Structure of the core of the flagellar export apparatus from Vibrio mimicus, the FliPQR-FlhB complex.
分子名称: Flagellar biosynthetic protein FlhB, Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, ...
著者Kuhlen, L, Johnson, S, Deme, J.C, Lea, S.M.
登録日2019-06-25
公開日2020-03-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The substrate specificity switch FlhB assembles onto the export gate to regulate type three secretion.
Nat Commun, 11, 2020
6S3R
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BU of 6s3r by Molmil
Structure of the FliPQR complex from the flagellar type 3 secretion system of Pseudomonas savastanoi.
分子名称: Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, Flagellar biosynthetic protein FliR
著者Kuhlen, L, Johnson, S, Deme, J.C, Lea, S.M.
登録日2019-06-25
公開日2020-03-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The substrate specificity switch FlhB assembles onto the export gate to regulate type three secretion.
Nat Commun, 11, 2020
6SNR
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BU of 6snr by Molmil
Crystal structure of FemX
分子名称: Lipid II:glycine glycyltransferase
著者Fulop, V, Hinxman, K.
登録日2019-08-27
公開日2020-09-09
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-based modeling and dynamics of MurM, a Streptococcus pneumoniae penicillin resistance determinant present at the cytoplasmic membrane.
Structure, 29, 2021
4IVT
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BU of 4ivt by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1H-indol-1-yl)acetamide, SULFATE ION
著者Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C.
登録日2013-01-23
公開日2013-11-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors
Molecules, 18, 2013
4IVS
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BU of 4ivs by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide
著者Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C.
登録日2013-01-23
公開日2013-11-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.636 Å)
主引用文献Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors
Molecules, 18, 2013
6SNJ
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BU of 6snj by Molmil
Solution structure of the FUS/TLS RNA recognition motif in complex with U1 snRNA stem loop III
分子名称: RNA-binding protein FUS, U1 snRNA stem loop III, RNA (28-MER)
著者Campagne, S, Allain, F.H.
登録日2019-08-26
公開日2020-10-28
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Aberrant interaction of FUS with the U1 snRNA provides a molecular mechanism of FUS induced amyotrophic lateral sclerosis.
Nat Commun, 11, 2020
8T7C
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BU of 8t7c by Molmil
Crystal structure of human phospholipase C gamma 2
分子名称: 1,2-ETHANEDIOL, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2, CALCIUM ION
著者Chen, Y, Choi, H, Zhuang, N, Hu, L, Qian, D, Wang, J.
登録日2023-06-20
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal and cryo-EM structures of PLCg2 reveal dynamic inter-domain recognitions in autoinhibition
To Be Published
9EOU
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BU of 9eou by Molmil
Crystal Structure of the b1b2 domains from Human Neuropilin-1 in complex with a peptide.
分子名称: Neuropilin-1, Osteopontin
著者Caing-Carlsson, R, Duelli, A, Walse, B.
登録日2024-03-15
公開日2024-06-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of an osteopontin-derived peptide that binds neuropilin-1 and activates vascular repair responses and angiogenesis.
Pharmacol Res, 205, 2024
9INR
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BU of 9inr by Molmil
Crystal structure of PIN1 in complex with inhibitor C3
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
著者Zhang, L.Y.
登録日2024-07-08
公開日2024-09-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.
J.Med.Chem., 67, 2024

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