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8YQ9
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BU of 8yq9 by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S) complexed with FB6, NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[4-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Vitsupakorn, D, Saeyang, T, Arwon, U, Hoarau, M, Decharuangsilp, S, Kamchonwongpaisan, S, Yuthavong, Y.
Deposit date:2024-03-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel flexible biphenyl Pf DHFR inhibitors with improved antimalarial activity.
Rsc Med Chem, 15, 2024
9CEM
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BU of 9cem by Molmil
Caulobacter crescentus FljJL flagellar filament (asymmetrical)
Descriptor: Flagellin FljL
Authors:Sanchez, J.C, Montemayor, E.J, Ploscariu, N.T, Parrell, D, Baumgardt, J.K, Yang, J.E, Sibert, B, Cai, K, Wright, E.R.
Deposit date:2024-06-26
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:Direct evidence for multi-flagellin filament stabilization via atomic-level architecture of Caulobacter crescentus flagellar filaments
To Be Published
9F1B
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BU of 9f1b by Molmil
Mammalian ternary complex of a translating 80S ribosome, NAC and NatA/E
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Yudin, D, Scaiola, A, Ban, N.
Deposit date:2024-04-18
Release date:2024-08-21
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:NAC guides a ribosomal multienzyme complex for nascent protein processing.
Nature, 2024
9FAY
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BU of 9fay by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-10
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
9BKF
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BU of 9bkf by Molmil
Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1A wavelength
Descriptor: Serine protease 1
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-27
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1A wavelength
To Be Published
8ZMY
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BU of 8zmy by Molmil
F0502B-bound WT polymorph 5a alpha-synuclein fibril
Descriptor: 2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol, Alpha-synuclein
Authors:Liu, K.E, Tao, Y.Q, Li, D, Liu, C.
Deposit date:2024-05-24
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Binding adaptability of chemical ligands to polymorphic alpha-synuclein amyloid fibrils.
Proc.Natl.Acad.Sci.USA, 121, 2024
9CEF
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BU of 9cef by Molmil
Caulobacter crescentus FljN flagellar filament (symmetrized)
Descriptor: Flagellin FljN
Authors:Sanchez, J.C, Montemayor, E.J, Ploscariu, N.T, Parrell, D, Baumgardt, J.K, Yang, J.E, Sibert, B, Cai, K, Wright, E.R.
Deposit date:2024-06-26
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (2.22 Å)
Cite:Direct evidence for multi-flagellin filament stabilization via atomic-level architecture of Caulobacter crescentus flagellar filaments
To Be Published
9F1C
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BU of 9f1c by Molmil
Mammalian quaternary complex of a translating 80S ribosome, NAC, MetAP1 and NatA/E
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Yudin, D, Scaiola, A, Ban, N.
Deposit date:2024-04-18
Release date:2024-08-21
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:NAC guides a ribosomal multienzyme complex for nascent protein processing.
Nature, 2024
9FAZ
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BU of 9faz by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-10
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
8ZLP
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BU of 8zlp by Molmil
apo WT polymorph 5a alpha-synuclein fibril
Descriptor: Alpha-synuclein
Authors:Liu, K.E, Tao, Y.Q, Li, D, Liu, C.
Deposit date:2024-05-20
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Binding adaptability of chemical ligands to polymorphic alpha-synuclein amyloid fibrils.
Proc.Natl.Acad.Sci.USA, 121, 2024
9EM9
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BU of 9em9 by Molmil
Structure of SynDLP MGD with GMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Slr0869 protein
Authors:Junglas, B, Gewehr, L, Schoennenbeck, P, Schneider, D, Sachse, C.
Deposit date:2024-03-07
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structural basis for GTPase activity and conformational changes of the bacterial dynamin-like protein SynDLP.
Cell Rep, 43, 2024
9G0B
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BU of 9g0b by Molmil
Rhinovirus A2 uncoating intermediate revealing the natural pocket factor (pH 5.8 and 4 degrees Celsius)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Real-Hohn, A, Blaas, D.
Deposit date:2024-07-07
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Rhinovirus A2 uncoating intermediate revealing the natural pocket factor (pH 5.8 and 4 degrees Celsius)
To Be Published
9B3P
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BU of 9b3p by Molmil
The cryo-EM structure of the H2A.Z-H3.3 double-variant nucleosome
Descriptor: DNA (128-MER), Histone H2A.Z, Histone H2B 1.1, ...
Authors:Tan, D, Sokolova, V.
Deposit date:2024-03-19
Release date:2024-06-12
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural and Biochemical Characterization of the Nucleosome Containing Variants H3.3 and H2A.Z.
Epigenomes, 8, 2024
9CYM
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BU of 9cym by Molmil
Structure of LAG3 bound to the MHC class II molecule I-A(b)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Class-II-associated invariant chain peptide, H-2 class II histocompatibility antigen, ...
Authors:Ming, Q, Antfolk, D, Tran, T.H, Luca, V.C.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (3.84 Å)
Cite:Structural basis for mouse LAG3 interactions with the MHC class II molecule I-A b.
Nat Commun, 15, 2024
9BOK
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BU of 9bok by Molmil
Crystal structure of reduced bovine trypsin, 50mM DTT-treated
Descriptor: BENZAMIDINE, Cationic trypsin
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-05-03
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of reduced bovine trypsin, 50mM DTT-treated
To Be Published
9CEO
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BU of 9ceo by Molmil
Caulobacter crescentus FljJM flagellar filament (asymmetrical)
Descriptor: Flagellin FljM
Authors:Sanchez, J.C, Montemayor, E.J, Ploscariu, N.T, Parrell, D, Baumgardt, J.K, Yang, J.E, Sibert, B, Cai, K, Wright, E.R.
Deposit date:2024-06-26
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Direct evidence for multi-flagellin filament stabilization via atomic-level architecture of Caulobacter crescentus flagellar filaments
To Be Published
9BK4
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BU of 9bk4 by Molmil
Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with pyruvic acid bound
Descriptor: PYRUVIC ACID, RidA family protein PA5083, SULFATE ION
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-26
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with pyruvic acid bound
To Be Published
9BOM
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BU of 9bom by Molmil
Crystal structure of reduced bovine trypsin, 25mM DTT-treated
Descriptor: BENZAMIDINE, Cationic trypsin
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-05-03
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of reduced bovine trypsin, 25mM DTT-treated
To Be Published
9BEB
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BU of 9beb by Molmil
Tungstate binding protein (Tungbindin) from Eubacterium limosum with eight Tungstates bound
Descriptor: Molybdenum-pterin binding domain-containing protein, TUNGSTATE(VI)ION
Authors:Zhou, D, Rose, J.P, Chen, L, Wang, B.C.
Deposit date:2024-04-15
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tungstate binding protein (Tungbindin) from Eubacterium limosum with eight Tungstates bound
To be published
9BEO
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BU of 9beo by Molmil
Tungstate binding protein (Tungbindin) from Eubacterium limosum with 7.5 tungstates bound
Descriptor: Molybdenum-pterin binding domain-containing protein, TUNGSTATE(VI)ION
Authors:Zhou, D, Rose, J.P, Chen, L, Wang, B.C.
Deposit date:2024-04-16
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Tungstate binding protein (Tungbindin) from Eubacterium limosum with 7.5 tungstates bound
To Be Published
9BKH
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BU of 9bkh by Molmil
Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with Acetaldehyde bound
Descriptor: ACETYL GROUP, RidA family protein PA5083
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-28
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with Acetaldehyde bound
To Be Published
9EOX
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BU of 9eox by Molmil
SARS-CoV2 major protease in covalent complex with a soluble inhibitor.
Descriptor: 3C-like proteinase nsp5, POTASSIUM ION, Soluble inhibitor
Authors:Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D.
Deposit date:2024-03-15
Release date:2024-09-04
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 2024
9FSB
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BU of 9fsb by Molmil
Coxsackievirus B3 3C protease in P121 spacegroup
Descriptor: Genome polyprotein
Authors:Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L.
Deposit date:2024-06-20
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.592 Å)
Cite:Coxsackievirus B3 3C protease in P121 spacegroup
To Be Published
9IJP
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BU of 9ijp by Molmil
Polyphosphate bound alpha-synuclein fibril
Descriptor: Alpha-synuclein, Tetraphosphate
Authors:Tao, Y.Q, Liu, C, Li, D.
Deposit date:2024-06-25
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Polyphosphate bound alpha-synuclein fibril
To Be Published
9CUO
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BU of 9cuo by Molmil
Crystal structure of CRBN with compound 3
Descriptor: (3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, Protein cereblon, ...
Authors:Zheng, X, Ji, N, Campbell, V, Slavin, A, Zhu, X, Chen, D, Rong, H, Enerson, B, Mayo, M, Sharma, K, Browne, C.M, Klaus, C.R, Li, H, Massa, G, McDonald, A.A, Shi, Y, Sintchak, M, Skouras, S, Walther, D.M, Yuan, K, Zhang, Y, Kelleher, J, Guang, L, Luo, X, Mainolfi, N, Weiss, M.M.
Deposit date:2024-07-26
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of KT-474─a Potent, Selective, and Orally Bioavailable IRAK4 Degrader for the Treatment of Autoimmune Diseases.
J.Med.Chem., 2024

225399

건을2024-09-25부터공개중

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