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6L8R
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BU of 6l8r by Molmil
membrane-bound PD-L1-CD
分子名称: Programmed cell death 1 ligand 1
著者Maorong, W, Cao, Y, Bin, W, Bo, O.
登録日2019-11-07
公開日2020-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献PD-L1 degradation is regulated by electrostatic membrane association of its cytoplasmic domain.
Nat Commun, 12, 2021
2MJY
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BU of 2mjy by Molmil
Solution structure of synthetic Mamba-1 peptide
分子名称: Mambalgin-1
著者He, Y, Wu, F, Tian, C.
登録日2014-01-21
公開日2015-01-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献One-pot hydrazide-based native chemical ligation for efficient chemical synthesis and structure determination of toxin Mambalgin-1
Chem.Commun.(Camb.), 50, 2014
8J3V
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BU of 8j3v by Molmil
Structure of the transmembrane domain of human PD-L2
分子名称: Programmed cell death 1 ligand 2
著者OuYang, B, Zhang, Y.
登録日2023-04-18
公開日2024-03-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Deciphering Cholesterol's Role in PD-L2 Stability: A Distinct Regulatory Mechanism From PD-L1.
J.Mol.Biol., 436, 2024
7CFS
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BU of 7cfs by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ...
著者Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
登録日2020-06-28
公開日2020-10-21
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
5Z6Q
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BU of 5z6q by Molmil
Crystal structure of AAA of Spastin
分子名称: CHLORIDE ION, Spastin
著者Lin, Z, Wang, C, Shen, Y.
登録日2018-01-25
公開日2018-12-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The AAA protein spastin possesses two levels of basal ATPase activity
FEBS Lett., 592, 2018
7CFT
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BU of 7cft by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a in complex with snake toxin Mambalgin1 at pH 8.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Mambalgin-1
著者Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
登録日2020-06-28
公開日2020-10-21
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
2MVT
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BU of 2mvt by Molmil
Solution structure of scoloptoxin SSD609 from Scolopendra mutilans
分子名称: Scoloptoxin SSD609
著者Wu, F, Sun, P, Wang, C, He, Y, Zhang, L, Tian, C.
登録日2014-10-14
公開日2015-09-23
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A distinct three-helix centipede toxin SSD609 inhibits Iks channels by interacting with the KCNE1 auxiliary subunit.
Sci Rep, 5, 2015
6L8V
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BU of 6l8v by Molmil
membrane-bound Bax helix2-helix5 domain
分子名称: Apoptosis regulator BAX
著者OuYang, B, Lv, F.
登録日2019-11-07
公開日2020-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An amphipathic Bax core dimer forms part of the apoptotic pore wall in the mitochondrial membrane.
Embo J., 40, 2021
8VXE
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BU of 8vxe by Molmil
Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6
分子名称: (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14
著者Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A.
登録日2024-02-04
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
分子名称: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
分子名称: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
8VXD
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BU of 8vxd by Molmil
Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 7
分子名称: (4P)-4-[(3P)-3-(5-fluoropyridin-2-yl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Casein kinase I isoform delta
著者Thompson, A.A, Milligan, C.M, Sharma, S.
登録日2024-02-04
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
8VXF
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BU of 8vxf by Molmil
Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15
分子名称: (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta
著者Thompson, A.A, Milligan, C.M, Sharma, S.
登録日2024-02-04
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
6SCP
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BU of 6scp by Molmil
Cell Division Protein SepF in complex with C-terminal domain of FtsZ
分子名称: Cell division protein SepF, ZINC ION
著者Sogues, A, Wehenkel, A.M, Alzari, P.M.
登録日2019-07-25
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Essential dynamic interdependence of FtsZ and SepF for Z-ring and septum formation in Corynebacterium glutamicum.
Nat Commun, 11, 2020
6SAT
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BU of 6sat by Molmil
Cell Division Protein SepF in complex with C-terminal domain of FtsZ
分子名称: Cell division protein FtsZ, Cell division protein SepF
著者Sogues, A, Wehenkel, A.M, Alzari, P.M.
登録日2019-07-17
公開日2020-03-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Essential dynamic interdependence of FtsZ and SepF for Z-ring and septum formation in Corynebacterium glutamicum.
Nat Commun, 11, 2020
6SCQ
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BU of 6scq by Molmil
Cell Division Protein SepF in complex with C-terminal domain of FtsZ
分子名称: Cell division protein SepF
著者Sogues, A, Wehenkel, A.M, Alzari, P.M.
登録日2019-07-25
公開日2020-03-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Essential dynamic interdependence of FtsZ and SepF for Z-ring and septum formation in Corynebacterium glutamicum.
Nat Commun, 11, 2020
6SCS
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BU of 6scs by Molmil
Cell Division Protein SepF in complex with C-terminal domain of FtsZ
分子名称: Cell division protein FtsZ, Cell division protein SepF, MAGNESIUM ION
著者Sogues, A, Wehenkel, A.M, Alzari, P.M.
登録日2019-07-25
公開日2020-03-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Essential dynamic interdependence of FtsZ and SepF for Z-ring and septum formation in Corynebacterium glutamicum.
Nat Commun, 11, 2020
6G8G
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BU of 6g8g by Molmil
Flavonoid-responsive Regulator FrrA in complex with Genistein
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GENISTEIN, TetR/AcrR family transcriptional regulator
著者Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W.
登録日2018-04-08
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The induction mechanism of the flavonoid-responsive regulator FrrA.
Febs J., 2021
6G8H
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BU of 6g8h by Molmil
Flavonoid-responsive Regulator FrrA in complex with (R,S)-Naringenin
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, NARINGENIN, R-naringenin, ...
著者Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W.
登録日2018-04-08
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The induction mechanism of the flavonoid-responsive regulator FrrA.
Febs J., 2021
6G87
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BU of 6g87 by Molmil
Flavonoid-responsive Regulator FrrA
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TetR/AcrR family transcriptional regulator
著者Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W.
登録日2018-04-07
公開日2019-04-24
最終更新日2021-08-18
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献The induction mechanism of the flavonoid-responsive regulator FrrA.
Febs J., 2021
1I35
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BU of 1i35 by Molmil
SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF THE PROTEIN KINASE BYR2 FROM SCHIZOSACCHAROMYCES POMBE
分子名称: PROTEIN KINASE BYR2
著者Gronwald, W, Huber, F, Grunewald, P, Sporner, M, Wohlgemuth, S, Herrmann, C, Kalbitzer, H.R.
登録日2001-02-13
公開日2001-12-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the Ras binding domain of the protein kinase Byr2 from Schizosaccharomyces pombe.
Structure, 9, 2001
1NL6
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BU of 1nl6 by Molmil
Crystal Structure Of The Cysteine Protease Human Cathepsin K In Complex With A Covalent Azepanone Inhibitor
分子名称: 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE, Cathepsin K
著者Smith, W.W, Janson, C.A, Zhao, B.
登録日2003-01-06
公開日2003-01-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Azepanone-based inhibitors of human and rat cathepsin K
J.Med.Chem., 44, 2001
1NLJ
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CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT AZEPANONE INHIBITOR
分子名称: BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE, CATHEPSIN K
著者Smith, W.W, Janson, C.A, Zhao, B.
登録日2003-01-07
公開日2003-01-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Azepanone-Based Inhibitors of Human and Rat Cathepsin K
J.Med.Chem., 44, 2001
7ZB7
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BU of 7zb7 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant Y54F at 1.63 A resolution
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL
著者Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A.
登録日2022-03-23
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
7ZB6
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BU of 7zb6 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant C44S at 2.12 A resolution
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A.
登録日2022-03-23
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024

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