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7JH6
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BU of 7jh6 by Molmil
De novo designed two-domain di-Zn(II) and porphyrin-binding protein
Descriptor: NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ...
Authors:Schmidt, N, Liu, L, DeGrado, W.F.
Deposit date:2020-07-20
Release date:2020-12-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Allosteric cooperation in a de novo-designed two-domain protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
7JRQ
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BU of 7jrq by Molmil
Crystallographically Characterized De Novo Designed Mn-Diphenylporphyrin Binding Protein
Descriptor: CHLORIDE ION, GLYCEROL, MPP1, ...
Authors:Mann, S.I, DeGrado, W.F.
Deposit date:2020-08-12
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:De Novo Design, Solution Characterization, and Crystallographic Structure of an Abiological Mn-Porphyrin-Binding Protein Capable of Stabilizing a Mn(V) Species.
J.Am.Chem.Soc., 143, 2021
5O6E
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BU of 5o6e by Molmil
Structure of ScPif1 in complex with TTTGGGTT and ADP-AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, CHLORIDE ION, ...
Authors:Lu, K.Y, Chen, W.F, Rety, S, Liu, N.N, Xu, X.G.
Deposit date:2017-06-06
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.345 Å)
Cite:Insights into the structural and mechanistic basis of multifunctional S. cerevisiae Pif1p helicase.
Nucleic Acids Res., 46, 2018
4ZXU
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BU of 4zxu by Molmil
2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
Descriptor: Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-05-20
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289.
To be Published
5DIB
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BU of 5dib by Molmil
2.25 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) Y450L point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-08-31
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:2.25 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) Y450L point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
To Be Published
6S3H
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BU of 6s3h by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai in complex with ADP-AlF4 and (dT)7ds11bp
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
Deposit date:2019-06-25
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
6S3E
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BU of 6s3e by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai in apo form
Descriptor: PIF1 helicase
Authors:Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
Deposit date:2019-06-25
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.787 Å)
Cite:Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
6S3I
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BU of 6s3i by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP-MgF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
Deposit date:2019-06-25
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
6S3P
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BU of 6s3p by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai in complex with (dT)18
Descriptor: DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*T)-3'), PIF1 helicase
Authors:Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
Deposit date:2019-06-25
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.926 Å)
Cite:Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
8BFS
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BU of 8bfs by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
Descriptor: 1,2-ETHANEDIOL, 3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine, Calcium/calmodulin-dependent protein kinase type 1D, ...
Authors:Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-26
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
To Be Published
6US8
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BU of 6us8 by Molmil
Influenza A M2 proton channel wild type TM domain bound to S-rimantadine
Descriptor: (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
8BNV
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BU of 8bnv by Molmil
Crystal structure of Pif1 from Deferribacter desulfuricans in apo from
Descriptor: AAA family ATPase, GLYCEROL, MAGNESIUM ION
Authors:Rety, S, Chen, W.F, Xi, X.G.
Deposit date:2022-11-14
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
8BH8
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BU of 8bh8 by Molmil
Structure of Est1 from Candida Tropicalis in complex with TLC1 telomerase RNA fragment 444-456
Descriptor: PCIF1_WW domain-containing protein, RNA (5'-R(P*AP*CP*AP*CP*AP*AP*GP*G)-3')
Authors:Rety, S, Chen, W.F, Xi, X.G.
Deposit date:2022-10-30
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structure of Est1 from Candida Tropicalis in complex with TLC1 telomerase RNA fragment 444-456
To Be Published
8BNX
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BU of 8bnx by Molmil
Crystal structure of Pif1 from Deferribacter desulfuricans in complex with AMPPNP
Descriptor: AAA family ATPase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Rety, S, Chen, W.F, Xi, X.G.
Deposit date:2022-11-14
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
8BH9
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BU of 8bh9 by Molmil
Structure of Est1 from Candida Tropicalis in complex with TLC1 telomerase RNA fragment 427-435 / 496-504
Descriptor: PCIF1_WW domain-containing protein, POTASSIUM ION, RNA (5'-R(P*AP*AP*GP*AP*AP*UP*GP*CP*AP*UP*UP*C)-3')
Authors:Rety, S, Chen, W.F, Xi, X.G.
Deposit date:2022-10-30
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure of Est1 from Candida Tropicalis in complex with TLC1 telomerase RNA fragment 427-435 / 496-504
To Be Published
6S3O
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BU of 6s3o by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
Deposit date:2019-06-25
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.974 Å)
Cite:Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
6S3M
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BU of 6s3m by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP-AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*G)-3'), MAGNESIUM ION, ...
Authors:Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
Deposit date:2019-06-25
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
6US9
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BU of 6us9 by Molmil
Influenza A M2 proton channel wild type TM domain bound to R-rimantadine
Descriptor: CHLORIDE ION, Matrix protein 2, RIMANTADINE
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
6S3N
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BU of 6s3n by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP-VO4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
Deposit date:2019-06-25
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.533 Å)
Cite:Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
6NDI
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BU of 6ndi by Molmil
Crystal Structure of the Sugar Binding Domain of LacI Family Protein from Klebsiella pneumoniae
Descriptor: Transcriptional regulator
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-13
Release date:2018-12-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6O3N
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BU of 6o3n by Molmil
Cross-alpha Amyloid-like Structure alphaAmA
Descriptor: Cross-alpha Amyloid-like Structure alphaAmA
Authors:Zhang, S.-Q, Liu, L, DeGrado, W.F.
Deposit date:2019-02-26
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures
Nat. Chem. Biol., 14, 2018
6OT5
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BU of 6ot5 by Molmil
Structure of the TRPV3 K169A sensitized mutant in the presence of 2-APB at 3.6 A resolution
Descriptor: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 3,Transient receptor potential cation channel subfamily V member 3
Authors:Zubcevic, L, Borschel, W.F, Hsu, A.L, Borgnia, M.J, Lee, S.-Y.
Deposit date:2019-05-02
Release date:2019-05-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Regulatory switch at the cytoplasmic interface controls TRPV channel gating.
Elife, 8, 2019
6OT2
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BU of 6ot2 by Molmil
Structure of the TRPV3 K169A sensitized mutant in apo form at 4.1 A resolution
Descriptor: Transient receptor potential cation channel subfamily V member 3
Authors:Zubcevic, L, Borschel, W.F, Hsu, A.L, Borgnia, M.J, Lee, S.-Y.
Deposit date:2019-05-02
Release date:2019-05-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Regulatory switch at the cytoplasmic interface controls TRPV channel gating.
Elife, 8, 2019
1V3Q
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BU of 1v3q by Molmil
Structure of human PNP complexed with DDI
Descriptor: 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE, Purine nucleoside phosphorylase, SULFATE ION
Authors:Canduri, F, Pereira, J.H, dos Santos, D.M, Silva, R.G, Palma, M.S, Basso, L.A, de Azevedo Jr, W.F, Santos, D.S.
Deposit date:2003-11-04
Release date:2004-01-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of human purine nucleoside phosphorylase complexed with inosine and ddI
Biochem.Biophys.Res.Commun., 313, 2004
6PKW
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BU of 6pkw by Molmil
Cryo-EM structure of the zebrafish TRPM2 channel in the apo conformation, processed with C2 symmetry (pseudo C4 symmetry)
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y.
Deposit date:2019-06-30
Release date:2019-08-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel.
Nat Commun, 10, 2019

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