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9EC2
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BU of 9ec2 by Molmil
Crystal structure of SAMHD1 dimer bound to an inhibitor obtained from high-throughput chemical tethering to the guanine antiviral acyclovir
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, N-[5-({2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl}amino)-5-oxopentyl]-4,7-dibromo-3-hydroxynaphthalene-2-carboxamide
Authors:Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Lopez-Rovira, L.M, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
Deposit date:2024-11-13
Release date:2025-03-12
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Inhibitors of SAMHD1 Obtained from Chemical Tethering to the Guanine Antiviral Acyclovir.
Biochemistry, 64, 2025
9DYB
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BU of 9dyb by Molmil
CHIP-TPR in complex with the phosphorylated Hsp70 tail
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, Heat shock 70 kDa protein 1A
Authors:Zhang, H, Nix, J.C, Page, R.C.
Deposit date:2024-10-13
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Phosphorylation-State Modulated Binding of HSP70: Structural Insights and Compensatory Protein Engineering.
Biorxiv, 2025
9DYA
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BU of 9dya by Molmil
CHIP-TPR in complex with the Hsp70 tail
Descriptor: E3 ubiquitin-protein ligase CHIP, Heat shock 70 kDa protein 1A, SULFATE ION
Authors:Zhang, H, Nix, J.C, Page, R.C.
Deposit date:2024-10-13
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Phosphorylation-State Modulated Binding of HSP70: Structural Insights and Compensatory Protein Engineering.
Biorxiv, 2025
9E6S
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BU of 9e6s by Molmil
BCL11A ZF4-6 with K784T Mutation in Complex with a DNA Sequence Observed in the Human Globin Locus Containing Motif TGACCA
Descriptor: 1,2-ETHANEDIOL, B-cell lymphoma/leukemia 11A, DNA Strand I, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2024-10-30
Release date:2025-04-09
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multimeric transcription factor BCL11A utilizes two zinc-finger tandem arrays to bind clustered short sequence motifs.
Nat Commun, 16, 2025
9EYS
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BU of 9eys by Molmil
Structure of Far-Red Photosystem I from C. thermalis PCC 7203
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Consoli, G, Tufaill, F, Murray, J.W, Fantuzzi, A, Rutherford, A.W.
Deposit date:2024-04-09
Release date:2025-04-23
Method:ELECTRON MICROSCOPY (2.01 Å)
Cite:Structure of Far-Red Photosystem I from C. thermalis PCC 7203
To Be Published
9E6T
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BU of 9e6t by Molmil
BCL11A ZF4-6 in Complex with a DNA Sequence Observed in the Human Globin Locus Containing Motif TGCCCA
Descriptor: 1,2-ETHANEDIOL, B-cell lymphoma/leukemia 11A, DNA Strand I, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2024-10-30
Release date:2025-04-09
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Multimeric transcription factor BCL11A utilizes two zinc-finger tandem arrays to bind clustered short sequence motifs.
Nat Commun, 16, 2025
9FTW
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BU of 9ftw by Molmil
Crystal structure of calcium-activated EndoU
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Fribourg, S, Campagne, S.
Deposit date:2024-06-25
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular Basis for the Calcium-Dependent Activation of the Ribonuclease EndoU.
Res Sq, 2024
9F5U
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BU of 9f5u by Molmil
Crystal structure of Heme-Oxygenase from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III))
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
Authors:Labidi, R.J, Faivre, B, Carpentier, P, Perard, J, Gotico, P, Li, Y, Atta, M, Fontecave, M.
Deposit date:2024-04-30
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Light-Activated Artificial CO 2 -Reductase: Structure and Activity.
J.Am.Chem.Soc., 2024
9F66
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BU of 9f66 by Molmil
Crystal structure of Heme-Oxygenase from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III)) flash-cooled under CO2 pressure
Descriptor: 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ...
Authors:Labidi, R.J, Faivre, B, Carpentier, P, Perard, J, Gotico, P, Li, Y, Atta, M, Fontecave, M.
Deposit date:2024-04-30
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Light-Activated Artificial CO 2 -Reductase: Structure and Activity.
J.Am.Chem.Soc., 2024
9G3C
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BU of 9g3c by Molmil
Crystal Structure of the artificial protein METP in complex with cadmium ion at different temperatures. 200 K data collection
Descriptor: CADMIUM ION, METP artificial protein
Authors:Di Costanzo, L, La Gatta, S, Chino, M.
Deposit date:2024-07-12
Release date:2024-12-04
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into temperature-dependent dynamics of METPsc1, a miniaturized electron-transfer protein.
J.Inorg.Biochem., 264, 2025
9G39
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BU of 9g39 by Molmil
Crystal Structure of the artificial protein METP in complex with cadmium ion at different temperature (data set at 100 K)
Descriptor: CADMIUM ION, METP ARTIFICIAL PROTEIN
Authors:Di Costanzo, L, La Gatta, S, Chino, M.
Deposit date:2024-07-11
Release date:2024-12-04
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structural insights into temperature-dependent dynamics of METPsc1, a miniaturized electron-transfer protein.
J.Inorg.Biochem., 264, 2025
9G3U
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BU of 9g3u by Molmil
Crystal Structure of the artificial protein METP in complex with cadmium ion at different temperatures. Room temperature data collection
Descriptor: CADMIUM ION, METP artificial protein
Authors:Di Costanzo, L, La Gatta, S, Chino, M.
Deposit date:2024-07-12
Release date:2024-12-04
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into temperature-dependent dynamics of METPsc1, a miniaturized electron-transfer protein.
J.Inorg.Biochem., 264, 2025
9G3A
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BU of 9g3a by Molmil
Crystal Structure of the artificial protein METP in complex with cadmium ion at different temperature, 160 K
Descriptor: CADMIUM ION, METP ARTIFICIAL PROTEIN
Authors:Di Costanzo, L, La Gatta, S, Chino, M.
Deposit date:2024-07-12
Release date:2024-12-04
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into temperature-dependent dynamics of METPsc1, a miniaturized electron-transfer protein.
J.Inorg.Biochem., 264, 2025
9GBF
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BU of 9gbf by Molmil
X-RAY structure of PHDvC5HCH tandem domain of NSD2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone-lysine N-methyltransferase NSD2, ...
Authors:Musco, G, Cocomazzi, P, Berardi, A, Knapp, S, Kramer, A.
Deposit date:2024-07-31
Release date:2024-12-18
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The C-terminal PHDVC5HCH tandem domain of NSD2 is a combinatorial reader of unmodified H3K4 and tri-methylated H3K27 that regulates transcription of cell adhesion genes in multiple myeloma.
Nucleic Acids Res., 53, 2025
9FUO
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BU of 9fuo by Molmil
Crystal structure of SNAr1.3 (K39A)
Descriptor: CHLORIDE ION, Chain A, DI(HYDROXYETHYL)ETHER, ...
Authors:Roberts, G.R, Leys, D.
Deposit date:2024-06-26
Release date:2025-01-29
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Engineered enzymes for enantioselective nucleophilic aromatic substitutions.
Nature, 639, 2025
9FUL
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BU of 9ful by Molmil
Crystal structure of SNAr1.3 in complex with iodide
Descriptor: Chain A, IODIDE ION, TETRAETHYLENE GLYCOL
Authors:Roberts, G.R, Leys, D.
Deposit date:2024-06-26
Release date:2025-01-29
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Engineered enzymes for enantioselective nucleophilic aromatic substitutions.
Nature, 639, 2025
9FCV
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BU of 9fcv by Molmil
Cas nuclease-CRISPR (cr)RNA ribonucleoprotein (RNP) complex
Descriptor: Phage head-tail adaptor, crRNA
Authors:Schmelz, S, Lukat, P, Blankenfeldt, W.
Deposit date:2024-05-16
Release date:2025-02-12
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:AcrVIB1 inhibits CRISPR-Cas13b immunity by promoting unproductive crRNA binding accessible to RNase attack.
Mol.Cell, 85, 2025
9F7O
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BU of 9f7o by Molmil
N-acetylglucosamine 6-phosphate dehydratase: apo form of NagS
Descriptor: SULFATE ION, UPF0309 protein SCO4393
Authors:Abrahams, J.P, Li, C.
Deposit date:2024-05-04
Release date:2025-02-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A new pathway in central metabolism mediates nutrient control of development and antibiotic production by Streptomyces
Biorxiv, 2024
9F7V
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BU of 9f7v by Molmil
N-acetylglucosamine 6-phosphate dehydratase: GlcNAc6P substrate-bound state of NagS
Descriptor: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, SULFATE ION, UPF0309 protein SCO4393
Authors:Abrahams, J.P, Li, C.
Deposit date:2024-05-05
Release date:2025-02-19
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:A new pathway in central metabolism mediates nutrient control of development and antibiotic production by Streptomyces
Biorxiv, 2024
9G59
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BU of 9g59 by Molmil
Pseudomonas aeruginosa periplasmic aspartic peptidase PA0462 (RloA2)
Descriptor: Putative ATP-dependent zinc protease domain-containing protein
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2024-07-16
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Secreted retropepsin-like enzymes are essential for stress tolerance and biofilm formation in Pseudomonas aeruginosa.
Biorxiv, 2025
9FYV
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BU of 9fyv by Molmil
Crystal structure of the engineered photoenzyme VEnT1.3
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, VEnT1.3
Authors:Hardy, F.J, Roberts, G.W.
Deposit date:2024-07-04
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Efficient and selective energy transfer photoenzymes powered by visible light.
Nat.Chem., 2025
9G65
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BU of 9g65 by Molmil
Crystal structure of the engineered photoenzyme SpEnT1.3
Descriptor: DI(HYDROXYETHYL)ETHER, Engineered photoenzyme SpEnT1.3, MAGNESIUM ION, ...
Authors:Hardy, F.J, Roberts, G.W.
Deposit date:2024-07-18
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Efficient and selective energy transfer photoenzymes powered by visible light.
Nat.Chem., 2025
9FYU
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BU of 9fyu by Molmil
Crystal structure of the engineered photoenzyme VEnT1.0
Descriptor: 1,2-ETHANEDIOL, Diisopropyl-fluorophosphatase
Authors:Hardy, F.J, Roberts, G.W.
Deposit date:2024-07-04
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Efficient and selective energy transfer photoenzymes powered by visible light.
Nat.Chem., 2025
9FDH
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BU of 9fdh by Molmil
Closed Human phosphoglycerate kinase complex with BPG and ADP produced by cross-soaking a TSA crystal
Descriptor: 1,3-BISPHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Cliff, M.J, Waltho, J.P, Bowler, M.W, Baxter, N.J, Bisson, C, Blackburn, G.M.
Deposit date:2024-05-17
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:The role of magnesium in catalysis by phosphoglycerate kinase
To be published
9FDN
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BU of 9fdn by Molmil
Human phosphoglycerate kinase in complex with ATP and 3PG formed by cross-soaking a TSA crystal
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Phosphoglycerate kinase 1, ...
Authors:Cliff, M.J, Waltho, J.P, Bowler, M.W, Baxter, N.J, Bisson, C, Blackburn, G.M.
Deposit date:2024-05-17
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The role of magnesium in catalysis by phosphoglycerate kinase
To be published

236963

数据于2025-06-04公开中

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