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7JIG
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HRAS A59T GppNHp crystal 2
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Johnson, C.W, Haigis, K.M.
登録日2020-07-23
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.322 Å)
主引用文献Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
5LXW
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BU of 5lxw by Molmil
Atomic resolution X-ray crystal structure of cisplatin bound to hen egg white lysozyme stored for 5 years on the shelf
分子名称: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Helliwell, J.R.
登録日2016-09-22
公開日2016-10-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Atomic resolution X-ray crystal structure of cisplatin bound to hen egg white lysozyme stored for 5 years 'on the shelf'
Zenodo, 2016
5LFG
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BU of 5lfg by Molmil
X-ray structure of a new fully ligated carbomonoxy form of Trematomus newnesi hemoglobin (Hb1TnCO).
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, ...
著者Vitagliano, L, Mazzarella, L, Merlino, A, Vergara, A.
登録日2016-07-01
公開日2017-08-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fine Sampling of the RT Quaternary-Structure Transition of a Tetrameric Hemoglobin.
Chemistry, 23, 2017
8IJ9
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BU of 8ij9 by Molmil
Crystal structure of the ELKS1/Rab6B complex
分子名称: ELKS/Rab6-interacting/CAST family member 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Jin, G, Wei, Z.
登録日2023-02-26
公開日2023-06-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural basis of ELKS/Rab6B interaction and its role in vesicle capturing enhanced by liquid-liquid phase separation.
J.Biol.Chem., 299, 2023
5LJK
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BU of 5ljk by Molmil
Crystal structure of human apo CRBP1
分子名称: Retinol-binding protein 1, SODIUM ION
著者Zanotti, G, Vallese, F, Berni, R, Menozzi, I.
登録日2016-07-18
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and molecular determinants affecting the interaction of retinol with human CRBP1.
J. Struct. Biol., 197, 2017
5LKE
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BU of 5lke by Molmil
Bovine beta-lactoglobulin complex with myristic acid, ambient pressure
分子名称: Beta-lactoglobulin, MYRISTIC ACID
著者Kurpiewska, K, Lewinski, K, Garbacz, K.
登録日2016-07-22
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Towards understanding the effect of high pressure on food protein allergenicity: beta-lactoglobulin structural studies.
Food Chem, 270, 2019
5M0O
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BU of 5m0o by Molmil
Crystal structure of cytochrome P450 OleT H85Q in complex with arachidonic acid
分子名称: 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C.
登録日2016-10-05
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE.
J. Biol. Chem., 292, 2017
8JOH
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structure of Echinococcus multilocularis Cystatin B
分子名称: Cystatin B Stefin B
著者Huang, S.Q, Hong, W.B.
登録日2023-06-07
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystal Structure of Echinococcus multilocularis Cystatin B
To Be Published
7JNY
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BU of 7jny by Molmil
Crystal structure of CXCL13
分子名称: C-X-C motif chemokine 13
著者Rosenberg Jr, E.M, Rajasekaran, D, Murphy, J.W, Pantouris, G, Lolis, E.J.
登録日2020-08-05
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The N-terminal length and side-chain composition of CXCL13 affect crystallization, structure and functional activity.
Acta Crystallogr D Struct Biol, 76, 2020
7JN0
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BU of 7jn0 by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 2
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.A, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-08-03
公開日2020-09-09
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
7JOV
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BU of 7jov by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, ...
著者Muckelbauer, J.K.
登録日2020-08-07
公開日2020-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 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
7JUH
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BU of 7juh by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with Man-alpha1-6Man
分子名称: CALCIUM ION, Macrophage mannose receptor 1, alpha-D-mannopyranose
著者Weis, W.I, Feinberg, H.
登録日2020-08-19
公開日2021-02-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
7JSY
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BU of 7jsy by Molmil
Proteinase K soaked with I3C determined by MicroED from a single milled microcrystal
分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Proteinase K
著者Martynowycz, M.W, Gonen, T.
登録日2020-08-16
公開日2020-10-14
最終更新日2021-01-20
実験手法ELECTRON CRYSTALLOGRAPHY (1.78 Å)
主引用文献Ligand Incorporation into Protein Microcrystals for MicroED by On-Grid Soaking.
Structure, 29, 2021
8JQ1
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BU of 8jq1 by Molmil
Solution NMR Structure of zinc fingers 1-2 (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 1-2 (fragment 257-320) from human insulinoma-associated protein 1(INSM1)
To Be Published
5NI1
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BU of 5ni1 by Molmil
CryoEM structure of haemoglobin at 3.2 A determined with the Volta phase plate
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Khoshouei, M, Radjainia, M, Bunker, R, Baumeister, W, Danev, R.
登録日2017-03-22
公開日2017-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of haemoglobin at 3.2 angstrom determined with the Volta phase plate.
Nat Commun, 8, 2017
8K3L
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BU of 8k3l by Molmil
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
5NBA
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BU of 5nba by Molmil
Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-03-01
公開日2017-06-28
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5NMZ
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BU of 5nmz by Molmil
human Neurturin (97-197)
分子名称: GLYCEROL, Neurturin
著者Bigalke, J.M, Sandmark, J, Roth, R.
登録日2017-04-07
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
8K33
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BU of 8k33 by Molmil
SOD1 and Nanobody1 complex
分子名称: NB1, 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 (2.13 Å)
主引用文献SOD1 and Nanobody1 complex
To Be Published
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
7JY3
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BU of 7jy3 by Molmil
Structure of HbA with compound 23 (PF-07059013)
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ...
著者Jasti, J.
登録日2020-08-28
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JOU
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BU of 7jou by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK1) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
分子名称: N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, Rho-associated protein kinase 1
著者Muckelbauer, J.K.
登録日2020-08-07
公開日2020-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.318 Å)
主引用文献Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
5LKV
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BU of 5lkv by Molmil
Dehaloperoxidase B from Amphitrite ornata: imidazole complex
分子名称: Dehaloperoxidase B, GLYCEROL, IMIDAZOLE, ...
著者Chicano, T.M, Dworkowski, F.S.N, Hough, M.A.
登録日2016-07-25
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Dehaloperoxidase B from Amphitrite ornata: imidazole complex
to be published
7JNT
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BU of 7jnt by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A POTENT AND SELECTIVE DUAL ROCK INHIBITOR
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide, ...
著者Muckelbauer, J.K.
登録日2020-08-05
公開日2020-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Identification of 5H-chromeno[3,4-c]pyridine and 6H-isochromeno[3,4-c]pyridine derivatives as potent and selective dual ROCK inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020

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