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6YF8
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BU of 6yf8 by Molmil
DYRK1A with PST001
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide
著者Rothweiler, U.
登録日2020-03-26
公開日2021-04-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.198 Å)
主引用文献DYRK1A with PST001
To Be Published
8T0S
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BU of 8t0s by Molmil
Crystal structure of UBE2G2 adduct with phenethyl isothiocyanate (PEITC) at the Cys48 position
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase AMFR, Ubiquitin-conjugating enzyme E2 G2
著者Wang, C, Shaw, G.X, Shi, G, Ji, X.
登録日2023-06-01
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of UBE2G2 adduct with phenethyl isothiocyanate (PEITC) at the Cys48 position
To be published
6YGU
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BU of 6ygu by Molmil
Crystal structure of the minimal Mtr4-Red1 complex (single chain) from Chaetomium thermophilum
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ATP dependent RNA helicase (Dob1)-like protein, ...
著者Dobrev, N, Ahmed, Y.L, Sinning, I.
登録日2020-03-27
公開日2021-05-05
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The zinc-finger protein Red1 orchestrates MTREC submodules and binds the Mtl1 helicase arch domain.
Nat Commun, 12, 2021
8TCK
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BU of 8tck by Molmil
Apo crystal Structure of modified HIV reverse transcriptase p51 domain (FPC1)
分子名称: p51 subunit
著者Pedersen, L.C, London, R.E.
登録日2023-07-02
公開日2024-07-17
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting the Structural Maturation Pathway of HIV-1 Reverse Transcriptase.
Biomolecules, 13, 2023
8Z56
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BU of 8z56 by Molmil
Crystal structure of human Q140L-SIRT5 in complex with succinylated Prx1 fragment
分子名称: CHLORIDE ION, GLYCEROL, NAD-dependent protein deacylase sirtuin-5, ...
著者Yokoyama, T, Takayama, Y.
登録日2024-04-18
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.806 Å)
主引用文献SIRT5 mutants reveal the role of conserved asparagine and glutamine residues in the NAD + -binding pocket.
Febs Lett., 598, 2024
6OCD
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BU of 6ocd by Molmil
Ricin A chain bound to VHH antibody V6D4
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ...
著者Rudolph, M.J.
登録日2019-03-22
公開日2020-04-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site.
J.Mol.Biol., 432, 2020
5NSA
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BU of 5nsa by Molmil
Beta domain of human transcobalamin bound to Co-beta-[2-(2,4-difluorophenyl)ethinyl]cobalamin
分子名称: 1-ethynyl-2,4-difluorobenzene, CALCIUM ION, COBALAMIN, ...
著者Bloch, J.S, Ruetz, M, Krautler, B, Locher, K.P.
登録日2017-04-25
公開日2017-09-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.273 Å)
主引用文献Structure of the human transcobalamin beta domain in four distinct states.
PLoS ONE, 12, 2017
8RHO
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BU of 8rho by Molmil
[2Fe:2S] ferredoxin FeSII from Azotobacter vinelandii, reduced form
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Franke, P, Zhang, L, Einsle, O.
登録日2023-12-15
公開日2025-01-01
最終更新日2025-02-05
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Conformational protection of molybdenum nitrogenase by Shethna protein II.
Nature, 637, 2025
8DKO
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BU of 8dko by Molmil
Minimal PutA proline dehydrogenase domain (design #1) complexed with S-(-)-tetrahydro-2-furoic acid
分子名称: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, TETRAHYDROFURAN-2-CARBOXYLIC ACID
著者Tanner, J.J, Bogner, A.N.
登録日2022-07-05
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based engineering of minimal proline dehydrogenase domains for inhibitor discovery.
Protein Eng.Des.Sel., 35, 2022
6QNC
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BU of 6qnc by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 0.1 s timepoint
分子名称: COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ...
著者Mehrabi, P, Schulz, E.C, Miller, R.J.D.
登録日2019-02-10
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
6VRF
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BU of 6vrf by Molmil
ADP bound TTBK2 kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Chodaparambil, J.V, Marcotte, D.J.
登録日2020-02-07
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanisms of Regulation and Diverse Activities of Tau-Tubulin Kinase (TTBK) Isoforms.
Cell Mol Neurobiol, 41, 2021
8DLB
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BU of 8dlb by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083
分子名称: 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase
著者Kovalevsky, A.Y, Coates, L, Kneller, D.W.
登録日2022-07-07
公開日2023-05-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8TZD
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BU of 8tzd by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with Molnupiravir, condition 1, INT1-INT1-OFS conformation (3DVA analysis)
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 20, 2024
8DMD
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BU of 8dmd by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound ZZ4461624291
分子名称: 1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase
著者Kovalevsky, A, Coates, L, Kneller, D.W.
登録日2022-07-08
公開日2023-05-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
7RTI
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BU of 7rti by Molmil
X-ray structure of RBPJ-L3MBTL3(dT62)-DNA complex
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), ...
著者Hall, D.P, Kovall, R.A, Yuan, Z.
登録日2021-08-13
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The structure, binding and function of a Notch transcription complex involving RBPJ and the epigenetic reader protein L3MBTL3.
Nucleic Acids Res., 50, 2022
8TZ7
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BU of 8tz7 by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with Molnupiravir, condition 1, INT1-INT1-INT1 conformation
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 20, 2024
8G4J
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BU of 8g4j by Molmil
Crystal structure of Cavia porcellus (guinea pig) importin-alpha 1 in cargo-free state
分子名称: Importin subunit alpha
著者Hawker, J.E, Roby, J.A, Stewart, M, Forwood, J.K.
登録日2023-02-09
公開日2023-02-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of Cavia porcellus (guinea pig) importin-alpha 1 in cargo-free state
To Be Published
8TZ8
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BU of 8tz8 by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with Molnupiravir, condition 1, INT1-INT1-INT3 conformation
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 20, 2024
7BWQ
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BU of 7bwq by Molmil
Structure of nonstructural protein Nsp9 from SARS-CoV-2
分子名称: Nsp9, SULFATE ION
著者Zhang, C, Chen, Y, Li, L, Su, D.
登録日2020-04-15
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.954 Å)
主引用文献Structural basis for the multimerization of nonstructural protein nsp9 from SARS-CoV-2.
Mol Biomed, 1, 2020
6OIP
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BU of 6oip by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 34
分子名称: 2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-04-09
公開日2019-07-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
4XME
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BU of 4xme by Molmil
Crystal structure of nitrophorin 7 from Rhodnius prolixus at pH 7.8 complexed with NO
分子名称: GLYCEROL, NITRIC OXIDE, Nitrophorin-7, ...
著者Ogata, H.
登録日2015-01-14
公開日2015-07-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structure and dynamics of the membrane attaching nitric oxide transporter nitrophorin 7.
F1000Res, 4, 2015
8ECG
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BU of 8ecg by Molmil
Complex of HMG1 with pitavastatin
分子名称: 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1, GLYCEROL, Pitavastatin
著者Haywood, J, Bond, C.S.
登録日2022-09-01
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
8UB5
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BU of 8ub5 by Molmil
The Apo NanH structure from Clostridium perfringens
分子名称: 1,2-ETHANEDIOL, ACETYL GROUP, Sialidase
著者Medley, B.J, Boraston, A.B.
登録日2023-09-22
公開日2024-09-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A "terminal" case of glycan catabolism: Structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 300, 2024
7S1N
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BU of 7s1n by Molmil
N-Aromatic-Substituted Indazole Derivatives as Brain Penetrant and Orally Bioavailable JNK3 Inhibitors
分子名称: 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
著者Park, H.
登録日2021-09-02
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献N -Aromatic-Substituted Indazole Derivatives as Brain-Penetrant and Orally Bioavailable JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4XMH
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BU of 4xmh by Molmil
Crystal structure of nitrophorin 7 from Rhodnius prolixus at pH 7.8 complexed with Gly-Gly-Gly
分子名称: GLY-GLY-GLY, GLYCEROL, Nitrophorin-7, ...
著者Ogata, H.
登録日2015-01-14
公開日2015-07-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structure and dynamics of the membrane attaching nitric oxide transporter nitrophorin 7.
F1000Res, 4, 2015

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