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8G0N
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BU of 8g0n by Molmil
FphI, Staphylococcus aureus fluorophosphonate-binding serine hydrolases I, apo form
Descriptor: CHLORIDE ION, Fluorophosphonate-binding serine hydrolase I, MAGNESIUM ION
Authors:Fellner, M.
Deposit date:2023-01-31
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:FphI, Staphylococcus aureus fluorophosphonate-binding serine hydrolases I, apo form
To Be Published
8G33
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BU of 8g33 by Molmil
Activated form of a CDCL long protein
Descriptor: Hemolysin
Authors:Johnstone, B.A, Christie, M.P, Morton, C.J, Parker, M.W.
Deposit date:2023-02-06
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Activated form of a CDCL long protein
To Be Published
7VV8
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BU of 7vv8 by Molmil
Crystal Structure of HRasQ61L(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Zheng, Y.Y, Zhou, C.
Deposit date:2021-11-04
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
5IPX
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BU of 5ipx by Molmil
Structure of ORF49 from KSHV
Descriptor: ORF49 protein, SULFATE ION
Authors:Hew, K, Nordlund, P.
Deposit date:2016-03-10
Release date:2016-11-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Open Reading Frame 49 Protein Encoded by Kaposi's Sarcoma-Associated Herpesvirus.
J. Virol., 91, 2017
8FM1
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BU of 8fm1 by Molmil
Structure of CBASS Cap5 from Pseudomonas syringae in the absence of a ligand (apo form dimer)
Descriptor: SAVED domain-containing protein, ZINC ION
Authors:Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K.
Deposit date:2022-12-22
Release date:2024-02-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
8FMG
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BU of 8fmg by Molmil
Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-diAMP ligand (3 tetramers in the AU)
Descriptor: Cyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate, MAGNESIUM ION, SAVED domain-containing protein, ...
Authors:Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K.
Deposit date:2022-12-23
Release date:2024-02-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
5IGN
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BU of 5ign by Molmil
Crystal structure of human BRD9 bromodomain in complex with LP99 chemical probe
Descriptor: Bromodomain-containing protein 9, N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
Authors:Tallant, C, Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of BRD9 bromodomain in complex with LP99 chemical probe
To Be Published
8FMH
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BU of 8fmh by Molmil
Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-dGAMP ligand (2 tetramers in the AU)
Descriptor: 3'2'-cGAMP, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K.
Deposit date:2022-12-23
Release date:2024-02-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
5IQB
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BU of 5iqb by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Kanamycin A
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, KANAMYCIN A, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
7VVB
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BU of 7vvb by Molmil
Crystal Structure of KRas4A(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Zheng, Y.Y, Zhou, C.
Deposit date:2021-11-05
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VNS
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BU of 7vns by Molmil
Sandercyanin mutant E79A-Biliverdin complex
Descriptor: BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
Authors:Yadav, K, Ghosh, S, Subramanian, R.
Deposit date:2021-10-12
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Phenylalanine stacking enhances the red fluorescence of biliverdin IX alpha on UV excitation in sandercyanin fluorescent protein.
Febs Lett., 596, 2022
5IHI
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BU of 5ihi by Molmil
Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, Spectrin alpha chain, ...
Authors:Camara-Artigas, A.
Deposit date:2016-02-29
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G
to be published
8FZ1
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BU of 8fz1 by Molmil
Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14)
Descriptor: (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CITRIC ACID, ...
Authors:Rouleau-Turcotte, E, Pascal, J.M.
Deposit date:2023-01-27
Release date:2024-02-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
8G1H
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BU of 8g1h by Molmil
Ancestral protein AncTh of Phosphomethylpirimidine kinases family
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Phosphomethylpyrimidine Kinase
Authors:Perez, M, Munoz, S, Cea, P, Castro-Fernandez, V.
Deposit date:2023-02-02
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ancestral protein AncTh of Phosphomethylpyrimidine kinases
To Be Published
8G1W
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BU of 8g1w by Molmil
Crystal Structure Matriptase (C731S) in Complex with Inhibitor VD4162B
Descriptor: CHLORIDE ION, Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(KCM), Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(THZ), ...
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W.
Deposit date:2023-02-03
Release date:2024-02-07
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Mechanism-Based Macrocyclic Inhibitors of Serine Proteases.
J.Med.Chem., 67, 2024
5IT8
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BU of 5it8 by Molmil
High-resolution structure of the Escherichia coli ribosome
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-03-16
Release date:2016-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IKG
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BU of 5ikg by Molmil
Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Romero, A, Davo-Siguero, I, Martinez, A.T.
Deposit date:2016-03-03
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Catalysis Science And Technology, 6, 2016
7VTY
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BU of 7vty by Molmil
de novo designed protein
Descriptor: de novo designed protein
Authors:Zhang, L.
Deposit date:2021-10-31
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
7VTA
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BU of 7vta by Molmil
Talaromyces verruculosus talaropentaene synthase apo
Descriptor: TvTS cyclase domain
Authors:Hui, T, Mori, T, Abe, I.
Deposit date:2021-10-28
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
7VIO
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BU of 7vio by Molmil
Crystal structure of recombinant horse spleen apo-R168H/L169C-Fr
Descriptor: CADMIUM ION, Ferritin light chain, GLYCEROL, ...
Authors:Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Wu, J, Ueno, T, Lu, D.
Deposit date:2021-09-27
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022
7VIU
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BU of 7viu by Molmil
Crystal structure of Au(200EQ)-apo-R168C/L169C-rHLFr
Descriptor: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
Authors:Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Ueno, T, Lu, D.
Deposit date:2021-09-27
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022
7VU4
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BU of 7vu4 by Molmil
de novo design based on 1r26
Descriptor: de novo design protein
Authors:Zhang, L.
Deposit date:2021-11-01
Release date:2022-06-08
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
7VIP
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BU of 7vip by Molmil
Crystal structure of Au(10EQ)-apo-R168H/L169C-rHLFr
Descriptor: CADMIUM ION, Ferritin light chain, GLYCEROL, ...
Authors:Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Ueno, T, Lu, D.
Deposit date:2021-09-27
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022
7VTB
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BU of 7vtb by Molmil
Partially closed conformation of talaropentaene synthase cyclase domain
Descriptor: NICKEL (II) ION, TvTS cyclase domain
Authors:Hui, T, Mori, T, Abe, I.
Deposit date:2021-10-28
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
8FG6
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BU of 8fg6 by Molmil
Design of amyloidogenic peptide traps
Descriptor: C104.1, amyloidogenic peptide
Authors:Sahtoe, D.D, Bera, A.K, Baker, D.
Deposit date:2022-12-12
Release date:2024-03-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of amyloidogenic peptide traps.
Nat.Chem.Biol., 2024

222624

数据于2024-07-17公开中

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