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7RJL
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BU of 7rjl by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with SHMT
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, GLYCEROL, ...
著者Fedorov, E, Islam, K, Ghosh, A.
登録日2021-07-21
公開日2022-08-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
9MFO
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BU of 9mfo by Molmil
Human DHX9 in Complex with Compound 1 and ADP
分子名称: 1-ethyl-N-[3-(methanesulfonamido)phenyl]-5-methyl-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, ...
著者Lockbaum, G.J, Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A, Grigoriu, S.
登録日2024-12-10
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献Discovery of ATX968: An Orally Available Allosteric Inhibitor of DHX9.
J.Med.Chem., 68, 2025
6WH9
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BU of 6wh9 by Molmil
Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 1D10
分子名称: 1D10 (Fab heavy chain), 1D10 (Fab light chain), KR1, ...
著者Cogan, D.P, Mathews, I.I, Khosla, C.
登録日2020-04-07
公開日2020-09-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
6RC3
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BU of 6rc3 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(2-chloroethyl)-8-methyl-purin-6-amine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.315 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
8P8R
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BU of 8p8r by Molmil
Ex vivo Ym1 crystal structure
分子名称: 1,2-ETHANEDIOL, Chitinase-like protein 3
著者Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, H, Savvides, S.N, Lambrecht, B.N.
登録日2023-06-02
公開日2024-01-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
4XJU
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BU of 4xju by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid
分子名称: (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brear, P.
登録日2015-01-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
6RBW
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BU of 6rbw by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(4-azidobutyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
9B7F
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BU of 9b7f by Molmil
S_SAD structure of HEWL using lossless default compression
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K.
登録日2024-03-27
公開日2024-04-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments.
J.Synchrotron Radiat., 31, 2024
6R8Q
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BU of 6r8q by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Ruza, R.R, Vecchia, L, Jones, E.Y.
登録日2019-04-02
公開日2019-05-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen.
Medchemcomm, 10, 2019
8WS9
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BU of 8ws9 by Molmil
Cryo-EM mini structure of Cas12-1 with 5 nt complementary heteroduplex
分子名称: Cas12-1, NTS, TS, ...
著者Kuo, Z, Xi, Z.
登録日2023-10-17
公開日2025-04-16
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Cryo-EM mini structure of Cas12-1 with 5 nt complementary heteroduplex
To Be Published
6WXN
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BU of 6wxn by Molmil
EGFR(T790M/V948R) in complex with LN3844
分子名称: CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Heppner, D.E, Eck, M.J.
登録日2020-05-11
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
J.Med.Chem., 65, 2022
8WRR
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BU of 8wrr by Molmil
Cryo-EM structure of Cas12-1 with 10 nt complementary heteroduplex
分子名称: Cryo-EM structure of Cas12-1 with 5 nt complementary heteroduplex, NTS, RNA (39-MER), ...
著者Zhang, X, Zhang, K.
登録日2023-10-16
公開日2025-04-16
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of Cas12-1 with 10 nt complementary heteroduplex
To Be Published
8WRQ
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BU of 8wrq by Molmil
Cryo-EM structure of Cas12-1 with 14 nt complementary heteroduplex
分子名称: Cas12-1, CrRNA, NTS, ...
著者Zhang, K, Zhang, X.
登録日2023-10-16
公開日2025-04-16
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Cryo-EM structure of Cas12-1 with 14 nt complementary heteroduplex
To Be Published
9B7E
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BU of 9b7e by Molmil
S_SAD structure of HEWL using lossy compression data with a compression ratio of 422
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K.
登録日2024-03-27
公開日2024-04-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments.
J.Synchrotron Radiat., 31, 2024
7LTL
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BU of 7ltl by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN INHIBITOR LACKING A ZINC BINDING GROUP (COMPOUND 19)
分子名称: (2R)-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}propanamide, ACETATE ION, CALCIUM ION, ...
著者Klein, D.J, Beshore, D.C.
登録日2021-02-19
公開日2021-05-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction.
Acs Med.Chem.Lett., 12, 2021
8WS7
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BU of 8ws7 by Molmil
Cryo-EM mini structure of Cas12-1 with 10 nt complementary heteroduplex
分子名称: Cas12-1, NTS, TS, ...
著者Kuo, Z, Xi, Z.
登録日2023-10-16
公開日2025-04-16
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Cryo-EM mini structure of Cas12-1 with 10 nt complementary heteroduplex
To Be Published
7LK3
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BU of 7lk3 by Molmil
Crystal structure of untwinned human GABARAPL2
分子名称: 1,2-ETHANEDIOL, Gamma-aminobutyric acid receptor-associated protein-like 2
著者Scicluna, K, Dewson, G, Czabotar, P.E, Birkinshaw, R.W.
登録日2021-02-01
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A new crystal form of GABARAPL2.
Acta Crystallogr.,Sect.F, 77, 2021
6RBS
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BU of 6rbs by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 8-bromanyl-9-pent-4-ynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.324 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
8WRW
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BU of 8wrw by Molmil
Cryo-EM mini structure of Cas12-1-N1/crRNA/Target DNA complex
分子名称: Cas12-1-N1, NTS, TS, ...
著者Kuo, Z, Xi, Z.
登録日2023-10-16
公開日2025-04-16
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Cryo-EM mini structure of Cas12-1-N1/crRNA/Target DNA complex
To Be Published
8WRS
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BU of 8wrs by Molmil
Cryo-EM structure of Cas12-1 with 5 nt complementary heteroduplex
分子名称: Cas12-1, NTS, RNA, ...
著者Kuo, Z, Xi, Z.
登録日2023-10-16
公開日2025-04-16
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Cryo-EM structure of Cas12-1 with 5 nt complementary heteroduplex
To Be Published
7RQQ
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BU of 7rqq by Molmil
Structure of chimeric antibody F10heavy_L9light with PfCSP peptide NANPNVDP
分子名称: 1,2-ETHANEDIOL, F10 Heavy Chain, L9 Kappa Chain, ...
著者Hurlburt, N.K, Pancera, M.
登録日2021-08-06
公開日2022-03-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The light chain of the L9 antibody is critical for binding circumsporozoite protein minor repeats and preventing malaria.
Cell Rep, 38, 2022
6RBZ
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BU of 6rbz by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.318 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
8TMW
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BU of 8tmw by Molmil
HTLV-1 capsid protein N-terminal domain triclinic crystal form with sulphate ion
分子名称: SULFATE ION, capsid protein p24
著者Yu, R.J, Li, N, Jacques, D.A.
登録日2023-07-31
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献HTLV-1 capsid protein N-terminal domain triclinic crystal form with sulphate ion
To Be Published
4XXF
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BU of 4xxf by Molmil
L-fuculose 1-phosphate aldolase from Glaciozyma antarctica PI12
分子名称: Fuculose-1-phosphate aldolase, ZINC ION
著者Jaafar, N.R, Abu Bakar, F.D, Abdul Murad, A.M, Illias, R, Littler, D, Beddoe, T, Rossjohn, J, Mahadi, M.N.
登録日2015-01-30
公開日2015-02-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal structure of fuculose aldolase from the Antarctic psychrophilic yeast Glaciozyma antarctica PI12.
Acta Crystallogr.,Sect.F, 72, 2016
6OXB
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BU of 6oxb by Molmil
First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1)
分子名称: CHLORIDE ION, Protein polybromo-1, SULFATE ION
著者Petojevic, T, Holliday, M.J, Fairbrother, W.J, Cochran, A.G.
登録日2019-05-13
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Polyvalent nucleosome recognition by Polybromo-1 anchors chromatin remodeling
To Be Published

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