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7ZMM
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BU of 7zmm by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G2-001
分子名称: ATP-dependent DNA helicase Q5, Gluebody G2-001, ZINC ION
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-06-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
7ZLE
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BU of 7zle by Molmil
Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Roversi, P, Zitzmann, N, Bayo, Y, Le Cornu, J.D.
登録日2022-04-14
公開日2022-06-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.823 Å)
主引用文献A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein quality control checkpoint
To Be Published
5D2U
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BU of 5d2u by Molmil
Crystal structure of tPphA Variant - H39A
分子名称: CALCIUM ION, Protein serin-threonin phosphatase
著者Su, J.
登録日2015-08-06
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Catalysts, 2016
6NO8
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BU of 6no8 by Molmil
PIM1 in complex with Cpd9 ((R)-5-amino-N-(3-(4-aminoazepan-1-yl)-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
分子名称: 5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, wang, X.
登録日2019-01-15
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.377 Å)
主引用文献Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma
To be published
5D30
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BU of 5d30 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
分子名称: De novo kemp eliminase KE07 round 5
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
To Be Published
7PHO
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BU of 7pho by Molmil
Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde
分子名称: BICARBONATE ION, D-MALATE, GLYCEROL, ...
著者Nunes-Costa, D, Silva, A, Barbosa Pereira, P.J, Macedo-Ribeiro, S.
登録日2021-08-17
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde
To Be Published
7ZMQ
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BU of 7zmq by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G2*-006
分子名称: ATP-dependent DNA helicase Q5, Gluebody G2*-006, SULFATE ION, ...
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-06-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
5D3D
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BU of 5d3d by Molmil
Crystal structure of Staphylococcal Superantigen-Like protein 3
分子名称: CHLORIDE ION, GLYCEROL, SODIUM ION, ...
著者Feitsma, L.J, Huizinga, E.G.
登録日2015-08-06
公開日2015-08-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural basis for inhibition of TLR2 by staphylococcal superantigen-like protein 3 (SSL3).
Proc.Natl.Acad.Sci.USA, 112, 2015
6NOK
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BU of 6nok by Molmil
The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution
分子名称: Fatty Acid Kinase (Fak) B1 protein, MYRISTIC ACID, SODIUM ION
著者Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O.
登録日2019-01-16
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution
To Be Published
8SD9
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BU of 8sd9 by Molmil
Carbonic anhydrase II radiation damage RT 121-150
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
5FHF
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BU of 5fhf by Molmil
Crystal structure of Bacteroides sp Pif1 in complex with ADP-AlF4
分子名称: ADENOSINE-5'-DIPHOSPHATE, TETRAFLUOROALUMINATE ION, Uncharacterized protein
著者Zhou, X, Ren, W, Bharath, S.R, Song, H.
登録日2015-12-22
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
7ZMN
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BU of 7zmn by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-048
分子名称: ATP-dependent DNA helicase Q5, Gluebody G3-048, SULFATE ION, ...
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-06-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
8PW1
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BU of 8pw1 by Molmil
Structure of human UCHL1 in complex with CG341 inhibitor
分子名称: (2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide, Ubiquitin carboxyl-terminal hydrolase isozyme L1
著者Grethe, C, Gersch, M.
登録日2023-07-19
公開日2024-01-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
8T4V
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BU of 8t4v by Molmil
Crystal structure of compound 1 bound to K-Ras(G12D)
分子名称: 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Zhang, Z, Zheng, Q, Guiley, K.Z, Shokat, K.M.
登録日2023-06-10
公開日2024-03-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Strain-release alkylation of Asp12 enables mutant selective targeting of K-Ras-G12D.
Nat.Chem.Biol., 20, 2024
5D3H
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BU of 5d3h by Molmil
First bromodomain of BRD4 bound to inhibitor XD29
分子名称: Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide
著者Wohlwend, D, Huegle, M, Weitzel, G.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5VDV
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BU of 5vdv by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F3
分子名称: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION, ...
著者Byrnes, L.J, Hall, J.D.
登録日2017-04-03
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
8W4E
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BU of 8w4e by Molmil
Crystal structure of the sigma-1 receptor from Xenopus laevis in the absence of known ligands (C2 form)
分子名称: Sigma non-opioid intracellular receptor 1
著者Xiao, Y, Fu, C, Sun, Z, Zhou, X.
登録日2023-08-23
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献Insight into binding of endogenous neurosteroid ligands to the sigma-1 receptor.
Nat Commun, 15, 2024
5FQ6
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BU of 5fq6 by Molmil
Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron
分子名称: 3-decanoyloxypropyl decanoate, BT_2261, CALCIUM ION, ...
著者Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B.
登録日2015-12-07
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Nature, 541, 2017
8VVK
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BU of 8vvk by Molmil
CCHFV GP38 bound to ADI-46143 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-46143 Fab Heavy Chain, ADI-46143 Fab Light Chain, ...
著者Hjorth, C.K, McLellan, J.S.
登録日2024-01-31
公開日2024-07-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
7O2I
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BU of 7o2i by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457
分子名称: DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ...
著者Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O.
登録日2021-03-30
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia.
Nature, 593, 2021
7WGQ
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BU of 7wgq by Molmil
X-ray structure of human PPAR gamma ligand binding domain-pemafibrate co-crystals obtained by co-crystallization
分子名称: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma
著者Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
登録日2021-12-28
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
7ZGS
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BU of 7zgs by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine
分子名称: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-04
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
8VVL
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BU of 8vvl by Molmil
CCHFV GP38 bound to c13G8 Fab
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, CHLORIDE ION, ...
著者Hjorth, C.K, Mishra, A.K, McLellan, J.S.
登録日2024-01-31
公開日2024-07-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
8SMA
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BU of 8sma by Molmil
SfbO with di-Manganese cofactor
分子名称: Amidohydrolase family protein, MANGANESE (II) ION, SULFATE ION
著者Liu, C, Rittle, J.
登録日2023-04-25
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Bioinformatic Discovery of a Cambialistic Monooxygenase.
J.Am.Chem.Soc., 146, 2024
6NBT
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BU of 6nbt by Molmil
CRISPR Complex Subunit Csm3 from Staphylococcus epidermidis RP62a
分子名称: CALCIUM ION, CRISPR-associated protein, SAMARIUM (III) ION
著者Dorsey, B.W, Mondragon, A.
登録日2018-12-10
公開日2019-02-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural organization of a Type III-A CRISPR effector subcomplex determined by X-ray crystallography and cryo-EM.
Nucleic Acids Res., 47, 2019

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