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4UIW
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BU of 4uiw by Molmil
BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-ethyl-4- oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2- carboximidamide
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 9, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
著者Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
登録日2015-04-03
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
6IXD
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BU of 6ixd by Molmil
X-ray crystal structure of bPI-11 hiv-1 protease complex
分子名称: (4R)-3-[(2S,3S)-3-[2-[4-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Adachi, M, Hidaka, K.
登録日2018-12-10
公開日2019-05-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Acquired Removability of Aspartic Protease Inhibitors by Direct Biotinylation.
Bioconjug.Chem., 30, 2019
4UQE
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BU of 4uqe by Molmil
X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum at 1.28 A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBOHYDRATE BINDING FAMILY 6, DI(HYDROXYETHYL)ETHER, ...
著者Freire, F, Verma, A.K, Goyal, A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-06-22
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Conservation in the Mechanism of Glucuronoxylan Hydrolysis Revealed by the Structure of Glucuronoxylan Xylano-Hydrolase (Ctxyn30A) from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 72, 2016
4UIX
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BU of 4uix by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2- carboxamide
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, CALCIUM ION, ...
著者Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
登録日2015-04-03
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIZ
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BU of 4uiz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-2-(4-methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one
分子名称: 1,2-ETHANEDIOL, 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
登録日2015-04-03
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
7VS7
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BU of 7vs7 by Molmil
Crystal structure of the ectodomain of OsCERK1 in complex with chitin hexamer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin elicitor receptor kinase 1, ...
著者Li, X.
登録日2021-10-26
公開日2022-08-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献Structural insight into chitin perception by chitin elicitor receptor kinase 1 of Oryza sativa.
J Integr Plant Biol, 65, 2023
4UPU
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BU of 4upu by Molmil
Crystal structure of IP3 3-K calmodulin binding region in complex with Calmodulin
分子名称: CALCIUM ION, CALMODULIN, GLYCEROL, ...
著者Franco-Echevarria, E, Banos-Sanz, J.I, Monterroso, B, Round, A, Sanz-Aparicio, J, Gonzalez, B.
登録日2014-06-18
公開日2014-08-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献A New Calmodulin Binding Motif for Inositol 1,4,5-Trisphosphate 3-Kinase Regulation.
Biochem.J., 463, 2014
4UIV
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BU of 4uiv by Molmil
BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4- oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2- carboximidamide
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 9, N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2-carboximidamide
著者Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
登録日2015-04-03
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
6JEO
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BU of 6jeo by Molmil
Structure of PSI tetramer from Anabaena
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F.
登録日2019-02-06
公開日2019-11-13
最終更新日2025-09-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of a cyanobacterial photosystem I tetramer revealed by cryo-electron microscopy.
Nat Commun, 10, 2019
6JOU
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BU of 6jou by Molmil
Crystal structure of the human nucleosome containing H2A.Z.1 S42R
分子名称: DNA (146-MER), Histone H2A.Z, Histone H2B type 1-J, ...
著者Horikoshi, N, Sato, K, Mizukami, Y, Kurumizaka, H.
登録日2019-03-23
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure-based design of an H2A.Z.1 mutant stabilizing a nucleosome in vitro and in vivo.
Biochem.Biophys.Res.Commun., 515, 2019
6JK8
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BU of 6jk8 by Molmil
Cryo-EM structure of the full-length human IGF-1R in complex with insulin
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, Insulin, ...
著者Zhang, X, Yu, D, Wang, T.
登録日2019-02-27
公開日2020-03-04
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis.
Structure, 28, 2020
6JP5
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BU of 6jp5 by Molmil
Rabbit Cav1.1-Nifedipine Complex
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Y, Huang, G, Wu, J, Yan, N.
登録日2019-03-25
公開日2019-06-12
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Cell, 177, 2019
9YFI
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BU of 9yfi by Molmil
Crystal Structure UTP--glucose-1-phosphate uridylyltransferase from Bordetella pertussis in complex with URIDINE-5'-DIPHOSPHATE-GLUCOSE
分子名称: GLYCEROL, MAGNESIUM ION, SULFATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2025-09-26
公開日2025-10-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure UTP--glucose-1-phosphate uridylyltransferase from Bordetella pertussis in complex with URIDINE-5'-DIPHOSPHATE-GLUCOSE
To be published
9VG0
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BU of 9vg0 by Molmil
SIRT2 structure in complex with H3K18myr peptide
分子名称: 1,2-ETHANEDIOL, Histone H3.1, MYRISTIC ACID, ...
著者Zhang, N, Hao, Q.
登録日2025-06-12
公開日2025-09-24
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural basis of SIRT2 pre-catalysis NAD + binding dynamics and mechanism.
Rsc Chem Biol, 2025
9VGZ
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BU of 9vgz by Molmil
SIRT2-F96A structure in complex with H3K18myr peptide and native NAD
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Histone H3.1, ...
著者Zhang, N, Hao, Q.
登録日2025-06-15
公開日2025-09-24
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural basis of SIRT2 pre-catalysis NAD + binding dynamics and mechanism.
Rsc Chem Biol, 2025
9VG3
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BU of 9vg3 by Molmil
SIRT2 structure in complex with H3K18myr peptide: pre NAD binding state
分子名称: 1,2-ETHANEDIOL, Histone H3.1, MYRISTIC ACID, ...
著者Zhang, N, Hao, Q.
登録日2025-06-12
公開日2025-09-24
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis of SIRT2 pre-catalysis NAD + binding dynamics and mechanism.
Rsc Chem Biol, 2025
9S5G
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BU of 9s5g by Molmil
Temporizin-1 NMR analysis
分子名称: Temporizin-1
著者Falcigno, L, D'Auria, G, Galdiero, S, Falanga, A, Bellavita, R.
登録日2025-07-29
公開日2025-09-17
最終更新日2025-10-08
実験手法SOLUTION NMR
主引用文献Temporizin-1 Meets the Membranes: Probing Membrane Inser-Tion and Disruption Mechanisms.
Antibiotics, 14, 2025
9YGK
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BU of 9ygk by Molmil
Crystal Structure UTP--glucose-1-phosphate uridylyltransferase from Bordetella pertussis (sulfate bound)
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2025-09-29
公開日2025-10-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure UTP--glucose-1-phosphate uridylyltransferase from Bordetella pertussis (sulfate bound)
To be published
9VEW
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BU of 9vew by Molmil
SIRT2 structure in complex with H3K18myr peptide and native NAD: pre-catalysis state 2
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Histone H3.1, ...
著者Zhang, N, Hao, Q.
登録日2025-06-10
公開日2025-09-24
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural basis of SIRT2 pre-catalysis NAD + binding dynamics and mechanism.
Rsc Chem Biol, 2025
9U7V
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BU of 9u7v by Molmil
The X-ray Crystallographic Structure of oligo-1,6-glucosidase from Paenibacillus sp. STB16
分子名称: oligo-1,6-glucosidase
著者Li, Z.F, Tian, Y.X, Zhang, J.S, Ban, X.F.
登録日2025-03-25
公開日2025-05-07
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献The X-ray Crystallographic Structure of oligo-1,6-glucosidase from Paenibacillus sp. STB16
To Be Published
9OUF
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BU of 9ouf by Molmil
Crystal structure of an ADP-ribosyl hydrolase from Streptococcus parasanguinis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Ribonuclease
著者Colautti, J, Kim, Y, Whitney, J.C.
登録日2025-05-28
公開日2025-07-30
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Antibacterial ADP-ribosyl cyclase toxins inhibit bacterial growth by rapidly depleting NAD(P).
J.Biol.Chem., 2025
9YFR
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BU of 9yfr by Molmil
perdeuterated human DJ-1, 100K
分子名称: 1,2-ETHANEDIOL, Protein deglycase DJ-1
著者Lin, J, Kovalevsky, A, Walker, A.R, Wilson, M.A.
登録日2025-09-26
公開日2025-10-08
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Environmental contributions to proton sharing in protein low barrier hydrogen bonds
To Be Published
9YCU
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BU of 9ycu by Molmil
Protiated human DJ-1, 100K
分子名称: 1,2-ETHANEDIOL, Protein deglycase DJ-1
著者Lin, J, Kovalevsky, A, Walker, A.R, Wilson, M.A.
登録日2025-09-19
公開日2025-10-08
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Environmental contributions to proton sharing in protein low barrier hydrogen bonds
To Be Published
9RNT
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BU of 9rnt by Molmil
RIBONUCLEASE T1 WITH FREE RECOGNITION AND CATALYTIC SITE: CRYSTAL STRUCTURE ANALYSIS AT 1.5 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, RIBONUCLEASE T1
著者Martinez-Oyanedel, J, Heinemann, U, Saenger, W.
登録日1991-09-25
公開日1993-01-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ribonuclease T1 with free recognition and catalytic site: crystal structure analysis at 1.5 A resolution.
J.Mol.Biol., 222, 1991
9RC4
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BU of 9rc4 by Molmil
Crystal structure of VirJ domain 1 from Brucella
分子名称: GLYCEROL, Virulence factor family protein
著者Dugelay, C, Ferrarin, S, Terradot, L.
登録日2025-05-27
公開日2025-09-03
最終更新日2025-09-10
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of the virulence protein J (VirJ) domain 1 from Brucella abortus.
Acta Crystallogr.,Sect.F, 81, 2025

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