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5IT3
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BU of 5it3 by Molmil
Swirm domain of human Lsd1
分子名称: Lysine-specific histone demethylase 1A, MAGNESIUM ION
著者Jeffrey, P.D, Yuan, P.
登録日2016-03-16
公開日2016-05-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Tlx-interacting peptide of Lsd1 inhibits the proliferation of brain tumor stem cells
To Be Published
7VP9
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BU of 7vp9 by Molmil
Crystal structure of human ClpP in complex with ZG111
分子名称: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
著者Wang, P.Y, Gan, J.H, Yang, C.-G.
登録日2021-10-15
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.552 Å)
主引用文献Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma.
Cell Chem Biol, 29, 2022
5YP6
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BU of 5yp6 by Molmil
RORgamma (263-509) complexed with SRC2 and Compound 6
分子名称: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
著者Gao, M, Cai, W.
登録日2017-11-01
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
7LH7
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BU of 7lh7 by Molmil
Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor
分子名称: Bcl-2-like protein 1, N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
著者Judge, R.A, Tao, Z.
登録日2021-01-21
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.409 Å)
主引用文献Structure-Based Design of A-1293102, a Potent and Selective BCL-XL Inhibitor
ACS Medicinal Chemistry Letters, 12, 2021
8TDZ
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BU of 8tdz by Molmil
16mer self-complementary duplex RNA with D:U pair sequence 2
分子名称: COBALT HEXAMMINE(III), RNA
著者Fang, Z, Jia, X, Szostak, J.W.
登録日2023-07-05
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Diaminopurine in Nonenzymatic RNA Template Copying.
J.Am.Chem.Soc., 146, 2024
8TE0
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BU of 8te0 by Molmil
16mer self-complementary duplex RNA with D:C pair sequence 1
分子名称: MAGNESIUM ION, RNA
著者Fang, Z, Jia, X, Szostak, J.W.
登録日2023-07-05
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Diaminopurine in Nonenzymatic RNA Template Copying.
J.Am.Chem.Soc., 146, 2024
8TDY
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BU of 8tdy by Molmil
16mer self-complementary duplex RNA with D:U pair sequence 1
分子名称: MAGNESIUM ION, RNA
著者Fang, Z, Jia, X, Szostak, J.W.
登録日2023-07-05
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Diaminopurine in Nonenzymatic RNA Template Copying.
J.Am.Chem.Soc., 146, 2024
8TE2
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BU of 8te2 by Molmil
16mer self-complementary duplex RNA with D:C pair sequence 2
分子名称: CALCIUM ION, RNA
著者Fang, Z, Jia, X, Szostak, J.W.
登録日2023-07-05
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Diaminopurine in Nonenzymatic RNA Template Copying.
J.Am.Chem.Soc., 146, 2024
8TMA
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BU of 8tma by Molmil
Antibody N3-1 bound to RBD in the up conformation
分子名称: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
著者Hsieh, C.-L, McLellan, J.S.
登録日2023-07-29
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
8TM1
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BU of 8tm1 by Molmil
Antibody N3-1 bound to RBDs in the up and down conformations
分子名称: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
著者Hsieh, C.-L, McLellan, J.S.
登録日2023-07-27
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
7N1R
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BU of 7n1r by Molmil
A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP
分子名称: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ...
著者Yang, J, Musayev, F, Liu, Q.
登録日2021-05-28
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP).
Protein Sci., 31, 2022
7NAM
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BU of 7nam by Molmil
LRP6_E1 in complex with Lr-EET-3.5
分子名称: Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ...
著者Hansen, S, Hannoush, R.N.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
5WY2
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BU of 5wy2 by Molmil
Human Snx5 PX domain in complex with Chlamydia IncE C terminus
分子名称: IncE, Sorting nexin-5
著者Sun, Q, Yong, X, Jia, D.
登録日2017-01-10
公開日2017-11-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional insights into sorting nexin 5/6 interaction with bacterial effector IncE.
Signal Transduct Target Ther, 2, 2017
5X80
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BU of 5x80 by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH SALICYLIC ACID
分子名称: 2-HYDROXYBENZOIC ACID, SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv2887
著者Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
登録日2017-02-28
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
7UJD
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BU of 7ujd by Molmil
PSMD2 Structure bound to MC1 and Fab8/14
分子名称: 26S proteasome non-ATPase regulatory subunit 2, ACY-PHE-PRO-ASP-VAL-SAR-LEU-HIS-ARG-TYR-TRP-GLY-TRP-ASP-CYS-GLY-NH2, Fab 14 HC CDRs, ...
著者Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C.
登録日2022-03-30
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
7UIH
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BU of 7uih by Molmil
PSMD2 Structure
分子名称: 26S proteasome non-ATPase regulatory subunit 2, Fab 14 HC CDRs, Fab 14 LC CDRs, ...
著者Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C.
登録日2022-03-29
公開日2023-01-11
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
5X7Z
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BU of 5x7z by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH P-AMINOSALICYLIC ACID
分子名称: 2-HYDROXY-4-AMINOBENZOIC ACID, Uncharacterized HTH-type transcriptional regulator Rv2887
著者Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
登録日2017-02-28
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
7VLN
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BU of 7vln by Molmil
NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound
分子名称: 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2
著者Cao, D.Y, Li, Y.L, Li, J, Xiong, B.
登録日2021-10-05
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.
J.Med.Chem., 65, 2022
3WSQ
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BU of 3wsq by Molmil
Structure of HER2 with an Fab
分子名称: Antibody Heavy Chain, Antibody Light Chain, Receptor tyrosine-protein kinase erbB-2
著者Fu, W.Y, Wang, Y.X, Zhou, L.J.
登録日2014-03-20
公開日2015-03-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Insights into HER2 signaling from step-by-step optimization of anti-HER2 antibodies.
MAbs, 6, 2014
5YF4
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BU of 5yf4 by Molmil
A kinase complex MST4-MOB4
分子名称: MOB-like protein phocein, Peptide from Serine/threonine-protein kinase 26, ZINC ION
著者Chen, M, Zhou, Z.C.
登録日2017-09-20
公開日2018-08-15
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献The MST4-MOB4 complex disrupts the MST1-MOB1 complex in the Hippo-YAP pathway and plays a pro-oncogenic role in pancreatic cancer.
J. Biol. Chem., 293, 2018
6SEQ
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BU of 6seq by Molmil
Lemur tyrosine kinase 3 (LMTK3)
分子名称: Serine/threonine-protein kinase LMTK3
著者Roe, S.M, Owen, R.
登録日2019-07-30
公開日2020-11-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure-function relationship of oncogenic LMTK3.
Sci Adv, 6, 2020
7FAH
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BU of 7fah by Molmil
Immune complex of head region of CA09 HA and neutralizing antibody 12H5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Li, T.T, Xue, W.H, Gu, Y, Li, S.W.
登録日2021-07-06
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.151 Å)
主引用文献Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
6U6J
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BU of 6u6j by Molmil
RNA-monomer complex containing pyrophosphate linkage
分子名称: 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(DPG))-3')
著者Zhang, W, Szostak, J.W, Giurgiu, C, Wright, T.
登録日2019-08-29
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Prebiotically Plausible "Patching" of RNA Backbone Cleavage through a 3'-5' Pyrophosphate Linkage.
J.Am.Chem.Soc., 141, 2019
3QAU
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3-Hydroxy-3-MethylGlutaryl-Coenzyme A Reductase from Streptococcus pneumoniae
分子名称: 3-hydroxy-3-methylglutaryl-coenzyme a reductase, GLYCEROL, SODIUM ION, ...
著者Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J.
登録日2011-01-11
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Hydroxy-3-MethylGlutaryl-Coenzyme A Reductase from Streptococcus pneumoniae
To be Published
3QAE
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3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae
分子名称: 3-hydroxy-3-methylglutaryl-coenzyme a reductase, CITRIC ACID, GLYCEROL, ...
著者Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J.
登録日2011-01-10
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae
To be Published

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