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7FRW
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BU of 7frw by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 4
Descriptor: (10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
Authors:Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
Deposit date:2022-12-18
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.737 Å)
Cite:Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FS4
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BU of 7fs4 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 16
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide, MAGNESIUM ION, ...
Authors:Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
Deposit date:2022-12-18
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FS9
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BU of 7fs9 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 22
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, MAGNESIUM ION, ...
Authors:Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
Deposit date:2022-12-18
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.721 Å)
Cite:Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FSD
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BU of 7fsd by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 44
Descriptor: (1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
Authors:Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
Deposit date:2022-12-18
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FS2
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BU of 7fs2 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 13
Descriptor: (1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
Authors:Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
Deposit date:2022-12-18
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.374 Å)
Cite:Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FS8
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BU of 7fs8 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 21
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, MAGNESIUM ION, ...
Authors:Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
Deposit date:2022-12-18
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FSC
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BU of 7fsc by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 42
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide, ...
Authors:Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
Deposit date:2022-12-18
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.855 Å)
Cite:Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
9ISQ
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BU of 9isq by Molmil
Apo-state E.coli PatZ
Descriptor: Protein acetyltransferase
Authors:Park, J.B, Roh, S.H.
Deposit date:2024-07-18
Release date:2025-06-04
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Structural basis of the catalytic and allosteric mechanism of bacterial acetyltransferase PatZ.
Proc.Natl.Acad.Sci.USA, 122, 2025
5XAR
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BU of 5xar by Molmil
Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
Descriptor: Citrate-sodium symporter, SODIUM ION, octyl beta-D-glucopyranoside
Authors:Jin, M.S, Kim, J.W, Kim, S, Kim, S, Lee, H, Lee, J.-O.
Deposit date:2017-03-14
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
Sci Rep, 7, 2017
9JLB
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BU of 9jlb by Molmil
Cryo-EM structure of phyB-PIF6beta complex
Descriptor: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome B, Transcription factor PIF6
Authors:Jia, H.L, Guan, Z.Y, Ding, J.Y, Wang, X.Y, Ma, L, Yin, P.
Deposit date:2024-09-18
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insight into PIF6-mediated red light signal transduction of plant phytochrome B.
Cell Discov, 11, 2025
9L08
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BU of 9l08 by Molmil
Cyclic Trimer of Helix-Linked Cytochrome c555
Descriptor: ACETIC ACID, Covalently Connected Cytochrome c555 trimer, DI(HYDROXYETHYL)ETHER, ...
Authors:Novientri, G, Mashima, T, Matsuura, H, Ogata, H, Hirota, S.
Deposit date:2024-12-12
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Construction of a Cyclic Regular-Triangle Trimer of Cytochrome c 555 with a Central Hole Using Sortase A.
Chemistry, 31, 2025
9J48
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BU of 9j48 by Molmil
GFP bound to 24-mer DARPin-apoferritin model 6c
Descriptor: Designed ankyrin repeat proteins,Ferritin heavy chain, N-terminally processed, Green fluorescent protein
Authors:Lu, X, Yan, M, Zhang, H.M, Hao, Q.
Deposit date:2024-08-09
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:A large, general and modular DARPin-apoferritin scaffold enables the visualization of small proteins by cryo-EM.
Iucrj, 12, 2025
9IWG
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BU of 9iwg by Molmil
crystal structure of xanthine-II ML2/3 in complex with xanthine
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, XANTHINE, ...
Authors:Xu, X.C, Ren, A.M.
Deposit date:2024-07-25
Release date:2025-06-04
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure-based principles underlying ligand recognition of xanthine-II riboswitch.
Sci China Life Sci, 68, 2025
9JJ1
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BU of 9jj1 by Molmil
Cryo-EM structure of human ZnT3
Descriptor: Lauryl Maltose Neopentyl Glycol, Probable proton-coupled zinc antiporter SLC30A3, ZINC ION
Authors:Ishida, H, Yo, R, Zhnag, Z, Shimizu, T, Ohto, U.
Deposit date:2024-09-12
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Structural basis for the zinc transporters, ZnT3 and ZnT4
To Be Published
9IT4
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BU of 9it4 by Molmil
Structure of Clr4 catalyzing histone H3 K9 methylation
Descriptor: Histone H3.1/H3.2, Histone-lysine N-methyltransferase, H3 lysine-9 specific, ...
Authors:Du, Y.X, Liu, L.
Deposit date:2024-07-19
Release date:2025-04-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Mechanism of Histone H3K9 Methyltransferase Clr4 Regulation by Proximal H3K14 Ubiquitination in-cis
To Be Published
6KW7
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BU of 6kw7 by Molmil
Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 12
Descriptor: 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Peng, Y.H, Wu, S.Y.
Deposit date:2019-09-06
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.
J.Med.Chem., 63, 2020
9IY1
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BU of 9iy1 by Molmil
P450 BS beta mutant F46A
Descriptor: DI(HYDROXYETHYL)ETHER, Fatty-acid peroxygenase, GLYCEROL, ...
Authors:Gong, P.Q, Gao, X.
Deposit date:2024-07-29
Release date:2025-04-30
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Unexpected Activities of CYP152 Peroxygenases towards Non-carboxylic Substrates Reveal Novel Substrate Recognition Mechanism and Catalytic Versatility.
Angew.Chem.Int.Ed.Engl., 2025
9ISF
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BU of 9isf by Molmil
Crystal structure of nanobody 14 in complex with HSV-2 gD
Descriptor: Glycoprotein D, Nanobody 14
Authors:Hu, J, Jin, T.C.
Deposit date:2024-07-17
Release date:2025-05-28
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:A potent protective bispecific nanobody targeting Herpes simplex virus gD reveals vulnerable epitope for neutralizing.
Nat Commun, 16, 2025
5XD6
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BU of 5xd6 by Molmil
CARK1 phosphorylates ABA receptors
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase superfamily protein
Authors:Zhang, L, Lou, Z.
Deposit date:2017-03-27
Release date:2018-04-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:CARK1 phosphorylates ABA receptors
To Be Published
9L14
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BU of 9l14 by Molmil
Crystal structure of the monobody CL-1 in complex with the Escherichia coli adenylate kinase
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
Authors:Nakamura, I, Amesaka, H, Tanaka, S.I, Matsuo, T.
Deposit date:2024-12-13
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Binding mechanism of adenylate kinase-specific monobodies.
Febs Lett., 2025
5XTR
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BU of 5xtr by Molmil
Crystal structure of baculoviral sulfhydryl oxidase P33 (R127A, E183A mutant)
Descriptor: FAD-linked sulfhydryl oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2017-06-20
Release date:2017-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Three Conserved Regions in Baculovirus Sulfhydryl Oxidase P33 Are Critical for Enzymatic Activity and Function
J. Virol., 91, 2017
5XU6
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BU of 5xu6 by Molmil
Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) from Cryptococcus neoformans
Descriptor: Inositol-pentakisphosphate 2-kinase, SULFATE ION
Authors:Oh, J, Rhee, S.
Deposit date:2017-06-22
Release date:2017-10-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase from Cryptococcus neoformans.
J. Struct. Biol., 200, 2017
5XHK
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BU of 5xhk by Molmil
Crystal structure of the BRD2-BD2 in complex with phenanthridinone
Descriptor: Bromodomain-containing protein 2, GLYCEROL, METHOXYETHANE, ...
Authors:Padmanabhan, B, Mathur, S, Tripathi, S, Deshmukh, P.
Deposit date:2017-04-21
Release date:2017-09-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Insights into the crystal structure of BRD2-BD2 - phenanthridinone complex and theoretical studies on phenanthridinone analogs.
J. Biomol. Struct. Dyn., 36, 2018
9ITF
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BU of 9itf by Molmil
Cryo-EM structure of full-length phyB(Y276H)-PIF6beta complex
Descriptor: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome B, Transcription factor PIF6
Authors:Jia, H.L, Guan, Z.Y, Ding, J.Y, Wang, X.Y, Ma, L, Yin, P.
Deposit date:2024-07-20
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insight into PIF6-mediated red light signal transduction of plant phytochrome B.
Cell Discov, 11, 2025
9J09
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BU of 9j09 by Molmil
Cryo-EM structure of the RdCas12n-sgRNA-DNA complex
Descriptor: DNA (40-MER), DNA (5'-D(P*GP*CP*TP*GP*TP*GP*AP*GP*AP*AP*AP*CP*CP*G)-3'), Transposase, ...
Authors:Fu, W, Ji, Q.
Deposit date:2024-08-02
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Mechanisms and engineering of a miniature type V-N CRISPR-Cas12 effector enzyme
To Be Published

238582

數據於2025-07-09公開中

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