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8GQE
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BU of 8gqe by Molmil
Crystal structure of the W285A mutant of UVR8 in complex with RUP2
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2
著者Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P.
登録日2022-08-30
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献RUP2 facilitates UVR8 redimerization via two interfaces.
Plant Commun., 4, 2023
6UTS
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BU of 6uts by Molmil
Crystal Structure of bacterial pirin YhhW in complex with nickel(II) from Escherichia coli
分子名称: NICKEL (II) ION, Quercetin 2,3-dioxygenase
著者Guo, B, Zhang, Y, Jia, Z.
登録日2019-10-29
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structure-Dependent Modulation of Substrate Binding and Biodegradation Activity of Pirin Proteins toward Plant Flavonols.
Acs Chem.Biol., 14, 2019
6USY
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BU of 6usy by Molmil
COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936
分子名称: 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain
著者Weihofen, W.A, Clark, K, Nunes, S.
登録日2019-10-28
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
8JTN
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BU of 8jtn by Molmil
Tudor domain of TDRD3 in complex with a small molecule
分子名称: 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine, Tudor domain-containing protein 3
著者Chen, M, Wang, Z, Li, W, Shang, X, Liu, Y.
登録日2023-06-22
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist.
Biochim Biophys Acta Gene Regul Mech, 1866, 2023
3PRE
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BU of 3pre by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
分子名称: 2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
登録日2010-11-29
公開日2011-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
8G8A
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BU of 8g8a by Molmil
Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ...
著者Janus, B.M, Astavans, A, Ofek, G.
登録日2023-02-17
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
8G8C
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BU of 8g8c by Molmil
Crystal structure of DH1322.1 Fab in complex with HIV proximal MPER peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1322.1 heavy chain, DH1322.1 light chain, ...
著者Niyongabo, A, Janus, B.M, Ofek, G.
登録日2023-02-17
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
8G8D
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BU of 8g8d by Molmil
Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide
分子名称: DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ...
著者Niyongabo, A, Janus, B.M, Ofek, G.
登録日2023-02-17
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
3PS6
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BU of 3ps6 by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
分子名称: 4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R, Greasley, S.E, Rogers, C.M.-L.
登録日2010-11-30
公開日2011-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
8H85
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BU of 8h85 by Molmil
Trans-3/4-proline-hydroxylase H11 with 3-hydroxyl-proline
分子名称: 3-HYDROXYPROLINE, Phytanoyl-CoA dioxygenase
著者Gong, W.M, Hu, X.Y.
登録日2022-10-21
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
8H7T
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BU of 8h7t by Molmil
Trans-3/4-proline-hydroxylase H11 apo structure
分子名称: CHLORIDE ION, Phytanoyl-CoA dioxygenase
著者Gong, W.M, Hu, X.Y.
登録日2022-10-21
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
8H81
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BU of 8h81 by Molmil
Trans-3/4-proline-hydroxylase H11 with 4-Hydroxyl-proline
分子名称: 4-HYDROXYPROLINE, Phytanoyl-CoA dioxygenase
著者Gong, W.M, Hu, X.Y.
登録日2022-10-21
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
8H7V
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BU of 8h7v by Molmil
Trans-3/4-proline-hydroxylase H11 with AKG
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, Phytanoyl-CoA dioxygenase
著者Gong, W.M, Hu, X.Y.
登録日2022-10-21
公開日2023-04-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
8H7Y
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BU of 8h7y by Molmil
Trans-3/4-proline-hydroxylase H11 with AKG and L-proline
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PROLINE, ...
著者Gong, W.M, Hu, X.Y.
登録日2022-10-21
公開日2023-04-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
6LZ3
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BU of 6lz3 by Molmil
Structure of cryptochrome in active conformation
分子名称: Cryptochrome2, FLAVIN-ADENINE DINUCLEOTIDE
著者Shao, K, Zhang, X, Zhang, P.
登録日2020-02-18
公開日2020-04-29
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The oligomeric structures of plant cryptochromes.
Nat.Struct.Mol.Biol., 27, 2020
7KN4
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BU of 7kn4 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-E6 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S-E6 Fab heavy chain, S-E6 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2020-11-04
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
6LZ7
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BU of 6lz7 by Molmil
Tetrameric structure of ZmCRY1a PHR domain
分子名称: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE
著者Shao, K, Zhang, X, Zhang, P.
登録日2020-02-18
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.59936166 Å)
主引用文献The oligomeric structures of plant cryptochromes.
Nat.Struct.Mol.Biol., 27, 2020
3PRZ
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BU of 3prz by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
分子名称: 4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
登録日2010-11-30
公開日2011-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
8HVS
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BU of 8hvs by Molmil
Solution Structure of the Antimicrobial Peptide HT-2
分子名称: ARG-PHE-LEU-ARG-ARG-ILE-PHE-PHE-PHE-PHE
著者Li, S, Yang, A.
登録日2022-12-27
公開日2023-10-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Design and evaluation of tadpole-like conformational antimicrobial peptides.
Commun Biol, 6, 2023
5KQZ
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BU of 5kqz by Molmil
Protease E35D-CaP2
分子名称: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, Protease
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5KKN
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BU of 5kkn by Molmil
Crystal structure of human ACC2 BC domain in complex with ND-646, the primary amide of ND-630
分子名称: 2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide, Acetyl-CoA carboxylase 2
著者Wang, R, Paul, D, Tong, L.
登録日2016-06-22
公開日2016-07-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Acetyl-CoA carboxylase inhibition by ND-630 reduces hepatic steatosis, improves insulin sensitivity, and modulates dyslipidemia in rats.
Proc.Natl.Acad.Sci.USA, 113, 2016
8DKF
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BU of 8dkf by Molmil
Antibody DH1030.1 Fab fragment
分子名称: DH1030.1 Heavy chain, DH1030.1 Light chain
著者Gobeil, S, Acharya, P.
登録日2022-07-05
公開日2023-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献DH1030.1 glycan reactive Ab
To Be Published
5KQY
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BU of 5kqy by Molmil
Protease E35D-DRV
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease E35D-DRV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
7DTD
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BU of 7dtd by Molmil
Voltage-gated sodium channel Nav1.1 and beta4
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 1 subunit alpha, ...
著者Yan, N, Pan, X, Li, Z, Huang, G.
登録日2021-01-04
公開日2021-04-07
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Comparative structural analysis of human Na v 1.1 and Na v 1.5 reveals mutational hotspots for sodium channelopathies.
Proc.Natl.Acad.Sci.USA, 118, 2021
8KDM
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BU of 8kdm by Molmil
Structure of SARS-CoV Spike protein complexed with antibody PW5-5
分子名称: PW5-5 heavy chain, PW5-5 light chain, Spike glycoprotein
著者Sun, L, Mao, Q, Wang, Y.
登録日2023-08-09
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024

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件を2024-09-11に公開中

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