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8SUF
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BU of 8suf by Molmil
The complex of TOL-1 ectodomain bound to LAT-1 Lectin domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Latrophilin-like protein 1, ...
Authors:Carmona Rosas, G, Li, J, Arac, D, Ozkan, E.
Deposit date:2023-05-12
Release date:2024-05-15
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural basis and functional roles for Toll-like receptor binding to Latrophilin adhesion-GPCR in embryo development
To Be Published
8SUE
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BU of 8sue by Molmil
Human asparagine synthetase (apo-ASNS)
Descriptor: Asparagine synthetase [glutamine-hydrolyzing]
Authors:Coricello, A, Zhu, W, Lupia, A, Gratteri, C, Vos, M, Chaptal, V, Alcaro, S, Takagi, Y, Richards, N.
Deposit date:2023-05-12
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Human asparagine synthetase (apo-ASNS)
To Be Published
8SUD
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BU of 8sud by Molmil
JC Polyomavirus LTA NLS bound to importin alpha 2
Descriptor: Importin subunit alpha-1, Large T antigen
Authors:Cross, E.M, Forwood, J.K, Alvisi, G.
Deposit date:2023-05-12
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals.
Protein Sci., 33, 2024
8SUC
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BU of 8suc by Molmil
NHL-2 NHL domain
Descriptor: MAGNESIUM ION, NHL (Ring finger b-box coiled coil) domain containing protein
Authors:Colson, R.N, Wilce, J.A.
Deposit date:2023-05-12
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:NHL-2 NHL domain
To Be Published
8SUB
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BU of 8sub by Molmil
E. coli SIR2-HerA complex (dodecamer SIR2 pentamer HerA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ...
Authors:Shen, Z.F, Lin, Q.P, Fu, T.M.
Deposit date:2023-05-11
Release date:2023-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
8SUA
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BU of 8sua by Molmil
Structure of M. baixiangningiae DarR-ligand complex
Descriptor: 3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6$l^{4}-boraspiro[5.5]undecan-9-ol, DarR
Authors:Schumacher, M.A.
Deposit date:2023-05-11
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
8SU9
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BU of 8su9 by Molmil
E. coli SIR2-HerA complex (hexamer HerA bound with dodecamer Sir2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ...
Authors:Shen, Z.F, Lin, Q.P, Fu, T.M.
Deposit date:2023-05-11
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
8SU8
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BU of 8su8 by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde).
Descriptor: (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
Authors:Bruystens, J.G.H.
Deposit date:2023-05-11
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
8SU7
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BU of 8su7 by Molmil
Crystal structure of Bacillus anthracis dihydroneopterin aldolase
Descriptor: 1,2-ETHANEDIOL, 7,8-dihydroneopterin aldolase
Authors:Shaw, G.X, Li, Y, Yan, H, Ji, X.
Deposit date:2023-05-11
Release date:2023-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Bacillus anthracis dihydroneopterin aldolase
To be published
8SU6
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BU of 8su6 by Molmil
Crystal Structure of ArnB Transferase from Klebsiella aerogenes (Lattice Translocation Disorder, P1 form2)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ETHANOL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-05-11
Release date:2023-05-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of ArnB Transferase from Klebsiella aerogenes (Lattice Translocation Disorder, P1 form2 )
To be published
8SU5
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BU of 8su5 by Molmil
F198T epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Eaton, S.A, Christianson, D.W.
Deposit date:2023-05-11
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
8SU4
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BU of 8su4 by Molmil
F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Eaton, S.A, Christianson, D.W.
Deposit date:2023-05-11
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
8SU3
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BU of 8su3 by Molmil
F95S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Eaton, S.A, Christianson, D.W.
Deposit date:2023-05-11
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
8SU2
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BU of 8su2 by Molmil
F96H epi-Isozizaene Synthase: complex with 3 Mg2+ and risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Epi-isozizaene synthase, GLYCEROL, ...
Authors:Eaton, S.A, Christianson, D.W.
Deposit date:2023-05-11
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
8SU1
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BU of 8su1 by Molmil
F96H epi-Isozizaene Synthase: complex with 3 Mg2+ and pamidronate
Descriptor: Epi-isozizaene synthase, MAGNESIUM ION, PAMIDRONATE, ...
Authors:Eaton, S.A, Christianson, D.W.
Deposit date:2023-05-11
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
8SU0
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BU of 8su0 by Molmil
Unliganded F96H epi-Isozizaene Synthase
Descriptor: Epi-isozizaene synthase, SULFATE ION
Authors:Eaton, S.A, Christianson, D.W.
Deposit date:2023-05-11
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
8STZ
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BU of 8stz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8STY
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BU of 8sty by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI60
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8STX
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BU of 8stx by Molmil
Crystal structure of the F337A mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation)
Descriptor: Glucokinase
Authors:Abiskaroon, B, Carey, S.M, D'Antonio, E.L, Chruszcz, M.
Deposit date:2023-05-11
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:At the outer part of the active site in Trypanosoma cruzi glucokinase: The role of phenylalanine 337.
Biochimie, 218, 2023
8STW
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BU of 8stw by Molmil
K384N HUMAN CYSTATHIONINE BETA-SYNTHASE (delta 411-551)
Descriptor: Cystathionine beta-synthase, K384N variant, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Mascarenhas, R, Roman, J, Banerjee, R.
Deposit date:2023-05-11
Release date:2023-11-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Disease-causing cystathionine beta-synthase linker mutations impair allosteric regulation.
J.Biol.Chem., 299, 2023
8STV
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BU of 8stv by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor
Descriptor: 1,2-ETHANEDIOL, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, ...
Authors:Hollander, K, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-05-11
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STU
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BU of 8stu by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-6-fluoroindolizine-2-carbonitrile (JLJ578), a non-nucleoside inhibitor
Descriptor: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
Authors:Hollander, K, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-05-11
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STT
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BU of 8stt by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
Descriptor: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
Authors:Hollander, K, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-05-11
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STS
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BU of 8sts by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor
Descriptor: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
Authors:Hollander, K, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-05-11
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STR
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BU of 8str by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor
Descriptor: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Hollander, K, Chan, A.H, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-05-11
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023

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數據於2024-07-17公開中

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