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7U6K
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BU of 7u6k by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2022-03-04
公開日2023-03-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7UJI
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BU of 7uji by Molmil
Structure of the P130R single variant of serine hydroxymethyltransferase 8 from Glycine max cultivar Essex complexed with PLP
分子名称: 1,2-ETHANEDIOL, Serine hydroxymethyltransferase
著者Korasick, D.A, Beamer, L.J.
登録日2022-03-30
公開日2023-04-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional analysis of two SHMT8 variants associated with soybean cyst nematode resistance.
Febs J., 291, 2024
7UOG
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BU of 7uog by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and asymmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
分子名称: DNA (5'-D(AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*CP*CP*GP*CP*CP*TP*T)-3', DNA (5'-D(GP*TP*AP*AP*GP*GP*CP*GP*GP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*G)-3', MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2022-04-12
公開日2023-04-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7UR0
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BU of 7ur0 by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional T-A rich sequence, respectively.
分子名称: DNA (5'-D(*AP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*TP*AP*AP*TP*T)-3'), DNA (5'-D(A*GP*TP*AP*AP*TP*TP*AP*CP*CP*G)-3'), ...
著者Orun, A.R, Snow, C.D.
登録日2022-04-20
公開日2023-04-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
8SP7
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BU of 8sp7 by Molmil
LINE-1 retrotransposon endonuclease domain complex with tranexamic acid
分子名称: LINE-1 retrotransposon endonuclease, SULFATE ION, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
著者D'Ordine, A.M, Jogl, G, Sedivy, J.M.
登録日2023-05-02
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Identification and characterization of small molecule inhibitors of the LINE-1 retrotransposon endonuclease.
Nat Commun, 15, 2024
7ZBB
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BU of 7zbb by Molmil
HaloTag with TRaQ-G-ctrl ligand
分子名称: (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium, CHLORIDE ION, GLYCEROL, ...
著者Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
登録日2022-03-23
公開日2023-02-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZBA
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BU of 7zba by Molmil
HaloTag with Me-TRaQ-G ligand
分子名称: 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide, CHLORIDE ION, GLYCEROL, ...
著者Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
登録日2022-03-23
公開日2023-02-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZBD
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BU of 7zbd by Molmil
HaloTag with TRaQ-G ligand
分子名称: (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
登録日2022-03-23
公開日2023-02-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7UXY
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BU of 7uxy by Molmil
Isoreticular, interpenetrating co-crystal of protein variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*P*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*P*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Snow, C.D.
登録日2022-05-06
公開日2023-05-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
8AHW
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BU of 8ahw by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL
著者de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
登録日2022-07-22
公開日2023-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
8PXI
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BU of 8pxi by Molmil
Crystal structure of Endothiapepsin soaked with FRG283
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol, DIMETHYL SULFOXIDE, ...
著者Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S.
登録日2023-07-23
公開日2024-08-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of Endothiapepsin with ligands derived from merged fragment hits
To Be Published
9ONO
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BU of 9ono by Molmil
Fe-bound B. pseudomallei rubrerythrin
分子名称: FE (III) ION, Rubrerythrin
著者Budziszewski, G.R, Snell, M.E, Monteiro, D.C.F, Lynch, M.L, Bowman, S.E.J.
登録日2025-05-15
公開日2025-06-25
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Burkholderia pseudomallei rubrerythrin promiscuously binds metals in a structurally pre-formed bimetallic binding site.
Biorxiv, 2025
9NND
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BU of 9nnd by Molmil
Structure of the HERV-K (HML-2) spike complex
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shaked, R, Katz, M, Diskin, R.
登録日2025-03-05
公開日2025-07-02
実験手法ELECTRON MICROSCOPY (2.13 Å)
主引用文献The prefusion structure of the HERV-K spike complex
To Be Published
9NYO
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BU of 9nyo by Molmil
Clostridium acetobutylicum alcohol dehydrogenase bound to NADP+, disordered nicotinamide
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
著者Madzelan, P, Wilson, M.A.
登録日2025-03-28
公開日2025-07-02
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Is a Malleable Active Site Loop the Key to High Substrate Promiscuity? Hybrid, Biocatalytic Route to Structurally Diverse Taxoid Side Chains with Remarkable Dual Stereocontrol.
Angew.Chem.Int.Ed.Engl., 2025
9R2L
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BU of 9r2l by Molmil
De novo designed N37 protein fold
分子名称: ACETATE ION, ETHANOLAMINE, N37, ...
著者Pacesa, M, Miao, Y, Georgeon, S, Schmidt, J, Correia, B.E.
登録日2025-04-30
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Reimagine accessibility of protein space with generative model
To Be Published
9R2R
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BU of 9r2r by Molmil
De novo designed M7 protein fold
分子名称: M7r1
著者Pacesa, M, Miao, Y, Georgeon, S, Schmidt, J, Correia, B.E.
登録日2025-04-30
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Reimagine accessibility of protein space with generative model
To Be Published
9R2V
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BU of 9r2v by Molmil
De novo designed M16 protein fold
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, FORMIC ACID, ...
著者Pacesa, M, Miao, Y, Georgeon, S, Schmidt, J, Correia, B.E.
登録日2025-05-01
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Reimagine accessibility of protein space with generative model
To Be Published
9ONR
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BU of 9onr by Molmil
rubrerythrin- E53A E124A
分子名称: DI(HYDROXYETHYL)ETHER, Rubrerythrin, THIOCYANATE ION
著者Budziszewski, G.R, Snell, M.E, Monteiro, D.C.F, Lynch, M.L, Bowman, S.E.J.
登録日2025-05-15
公開日2025-06-25
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Burkholderia pseudomallei rubrerythrin promiscuously binds metals in a structurally pre-formed bimetallic binding site.
Biorxiv, 2025
9ONN
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BU of 9onn by Molmil
Co-bound B. pseudomallei Rubrerythrin
分子名称: COBALT (II) ION, Rubrerythrin
著者Budziszewski, G.R, Snell, M.E, Monteiro, D.C.F, Lynch, M.L, Bowman, S.E.J.
登録日2025-05-15
公開日2025-06-25
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Burkholderia pseudomallei rubrerythrin promiscuously binds metals in a structurally pre-formed bimetallic binding site.
Biorxiv, 2025
9ONM
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BU of 9onm by Molmil
near-apo rubrerythrin
分子名称: DI(HYDROXYETHYL)ETHER, FE (III) ION, Rubrerythrin
著者Budziszewski, G.R, Snell, M.E, Monteiro, D.C.F, Lynch, M.L, Bowman, S.E.J.
登録日2025-05-15
公開日2025-06-25
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Burkholderia pseudomallei rubrerythrin promiscuously binds metals in a structurally pre-formed bimetallic binding site.
Biorxiv, 2025
9ONQ
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BU of 9onq by Molmil
Mn-bound B. pseudomallei rubrerythrin
分子名称: MANGANESE (II) ION, Rubrerythrin
著者Budziszewski, G.R, Snell, M.E, Monteiro, D.C.F, Lynch, M.L, Bowman, S.E.J.
登録日2025-05-15
公開日2025-06-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Burkholderia pseudomallei rubrerythrin promiscuously binds metals in a structurally pre-formed bimetallic binding site.
Biorxiv, 2025
9R2O
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BU of 9r2o by Molmil
De novo designed N5 protein fold
分子名称: N5, POTASSIUM ION, THIOCYANATE ION
著者Pacesa, M, Miao, Y, Georgeon, S, Schmidt, J, Correia, B.E.
登録日2025-04-30
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Reimagine accessibility of protein space with generative model
To Be Published
9QMP
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BU of 9qmp by Molmil
E.coli seryl-tRNA synthetase
分子名称: Serine--tRNA ligase
著者Cusack, S.
登録日2025-03-24
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献A second class of synthetase structure revealed by X-ray analysis of Escherichia coli seryl-tRNA synthetase at 2.5 A.
Nature, 347, 1990
7SGC
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BU of 7sgc by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal five prime phosphates.
分子名称: DNA (5'-D(P*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*G)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-10-05
公開日2021-10-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SDP
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BU of 7sdp by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates.
分子名称: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-09-29
公開日2021-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023

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件を2025-07-09に公開中

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