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6MEW
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BU of 6mew by Molmil
RFXANK ankyrin repeats in complex with a RFX7 peptide
分子名称: DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION
著者Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-09-07
公開日2018-10-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献RFXANK ankyrin repeats in complex with a RFX7 peptide
to be published
7N3L
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BU of 7n3l by Molmil
Co-complex CYP46A1 with 0420 (compound 6)
分子名称: 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, GLYCEROL, ...
著者Lane, W, Yano, J.
登録日2021-06-01
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors.
J.Med.Chem., 65, 2022
7N3M
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BU of 7n3m by Molmil
Co-complex CYP46A1 with 0431 (compound 17)
分子名称: Cholesterol 24-hydroxylase, N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE
著者Lane, W, Yano, J.
登録日2021-06-01
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors.
J.Med.Chem., 65, 2022
6B1M
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BU of 6b1m by Molmil
Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant
分子名称: GLYCEROL, Heat shock protein family A (Hsp70) member 8, MAGNESIUM ION, ...
著者O'Donnell, J.P.
登録日2017-09-18
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Disrupted Hydrogen-Bond Network and Impaired ATPase Activity in an Hsc70 Cysteine Mutant.
Biochemistry, 57, 2018
5JHQ
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BU of 5jhq by Molmil
ARCs 1-3 of human Tankyrase-1 bound to a peptide derived from IRAP
分子名称: Peptide derived from insulin-responsive aminopeptidase (IRAP), Tankyrase-1
著者Eisemann, T, Pascal, J.M.
登録日2016-04-21
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Tankyrase-1 Ankyrin Repeats Form an Adaptable Binding Platform for Targets of ADP-Ribose Modification.
Structure, 24, 2016
5J0A
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BU of 5j0a by Molmil
Crystal structure of PDZ-binding kinase
分子名称: 4'-HYDROXYCINNAMIC ACID, Lymphokine-activated killer T-cell-originated protein kinase, SULFATE ION
著者Zou, Q.W, Zhou, H, Yang, X.
登録日2016-03-28
公開日2016-09-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献The crystal structure of an inactive dimer of PDZ-binding kinase
Biochem.Biophys.Res.Commun., 476, 2016
6B7V
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BU of 6b7v by Molmil
Structure of hen egg-white lysozyme pre-treated with high-pressure homogenization at 120 MPa
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Morais, M.A.B, Nascimento, A.F.Z, Tominaga, C.Y, Cristianini, M, Tribst, A.A.L, Murakami, M.T.
登録日2017-10-05
公開日2018-07-25
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献How high pressure pre-treatments affect the function and structure of hen egg-white lysozyme
Innov Food Sci Emerg Technol, 47, 2018
6LY4
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BU of 6ly4 by Molmil
The crystal structure of the BM3 mutant LG-23 in complex with testosterone
分子名称: 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ...
著者Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T.
登録日2020-02-13
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 59, 2020
8JPY
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BU of 8jpy by Molmil
Solution NMR Structure of Zinc-fingers 1 and 2 (fragment 257-320) from human Insulinoma-associated protein 1(INSM1)
分子名称: Insulinoma-associated protein 1, ZINC ION
著者He, X.L, Yang, Y.H.
登録日2023-06-13
公開日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of Zinc-fingers 1 and 2 (fragment 257-320) from human Insulinoma-associated protein 1(INSM1)
To Be Published
6LYT
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BU of 6lyt by Molmil
COMPARISON OF RADIATION-INDUCED DECAY AND STRUCTURE REFINEMENT FROM X-RAY DATA COLLECTED FROM LYSOZYME CRYSTALS AT LOW AND AMBIENT TEMPERATURES
分子名称: HEN EGG WHITE LYSOZYME
著者Dewan, J.C, Young, A.C.M, Tilton, R.F.
登録日1992-03-20
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comparison of Radiation-Induced Decay and Structure Refinement from X-Ray Data Collected from Lysozyme Crystals at Low and Ambient Temperatures
J.Appl.Crystallogr., 26, 1993
6LYX
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BU of 6lyx by Molmil
Crystal structure of oxidized ACHT1
分子名称: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ...
著者Wang, J.C, Pan, W.M, Cai, W.G, Wang, M.Z, Zhang, M.
登録日2020-02-16
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020
7NDF
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BU of 7ndf by Molmil
Crystal structure of nanobody Nb_MsbA#1 in complex with the nucleotide binding domain of MsbA
分子名称: Lipid A ABC transporter ATP-binding protein/permease MsbA, Nb_MsbA 1
著者Meier, G, Seeger, M.
登録日2021-02-01
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells.
Sci Adv, 8, 2022
6B4W
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BU of 6b4w by Molmil
TTK in Complex with Inhibitor
分子名称: 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK
著者Delker, S, Chamberlain, P.P.
登録日2017-09-27
公開日2017-10-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
7UL5
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BU of 7ul5 by Molmil
CryoEM Structure of Inactive SSTR2 bound to Nb6
分子名称: Nanobody 6, Somatostatin receptor type 2
著者Robertson, M.J, Skiniotis, G.
登録日2022-04-03
公開日2022-06-29
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
7UL3
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BU of 7ul3 by Molmil
CryoEM Structure of Inactive H2R Bound to Famotidine, Nb6M, and NabFab
分子名称: Histamine H2 receptor, NabFab HC, NabFab LC, ...
著者Robertson, M.J, Skiniotis, G.
登録日2022-04-03
公開日2022-06-29
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
6B6O
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BU of 6b6o by Molmil
Orthorhombic trypsin cryocooled to 100 K with 20% xylose as cryoprotectant
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Juers, D.H.
登録日2017-10-03
公開日2018-02-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.400081 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6BG2
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BU of 6bg2 by Molmil
Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain in AMP-PNP bound state
分子名称: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cGMP-dependent protein kinase 1
著者Qin, L, Sankaran, B, Kim, C.
登録日2017-10-27
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain
to be published
6M8Y
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BU of 6m8y by Molmil
PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR AIPF
分子名称: AIPF PEPTIDE INHIBITOR, CALCIUM ION, CHLORIDE ION, ...
著者Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K.
登録日2018-08-22
公開日2018-10-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
6B3H
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BU of 6b3h by Molmil
Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
分子名称: CHLORIDE ION, HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
著者Su, H.P.
登録日2017-09-21
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
8K3A
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BU of 8k3a by Molmil
SOD1 and Nanobody2 complex
分子名称: NB2, Superoxide dismutase [Cu-Zn], ZINC ION
著者Cheng, S.
登録日2023-07-14
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献SOD1 and Nanobody1 complex
To Be Published
8DYZ
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BU of 8dyz by Molmil
Hen lysozyme in tetragonal space group at ambient temperature - diffuse scattering dataset
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Meisburger, S.P, Ando, N.
登録日2022-08-05
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.272 Å)
主引用文献Robust total X-ray scattering workflow to study correlated motion of proteins in crystals.
Nat Commun, 14, 2023
6M7X
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BU of 6m7x by Molmil
Structure of human CYP11B1 in complex with fadrozole
分子名称: 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B1, mitochondrial, ...
著者Scott, E.E, Brixius-Anderko, S.
登録日2018-08-21
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Structure of human cortisol-producing cytochrome P450 11B1 bound to the breast cancer drug fadrozole provides insights for drug design.
J. Biol. Chem., 294, 2019
7UL2
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CryoEM Structure of Inactive NTSR1 Bound to SR48692 and Nb6
分子名称: 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Nanobody 6, Neurotensin receptor 1, ...
著者Robertson, M.J, Skiniotis, G.
登録日2022-04-03
公開日2022-06-29
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
7UL4
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CryoEM Structure of Inactive MOR Bound to Alvimopan and Mb6
分子名称: Megabody 6, Mu-type opioid receptor, N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine
著者Robertson, M.J, Skiniotis, G.
登録日2022-04-03
公開日2022-06-29
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
8K3L
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SOD1 and Nanobody3 complex
分子名称: COPPER (II) ION, NB3, Superoxide dismutase [Cu-Zn], ...
著者Cheng, S, Liu, R, Ding, Y.
登録日2023-07-16
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献SOD1 and Nanobody1 complex
To Be Published

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件を2024-09-11に公開中

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