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8AFD
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BU of 8afd by Molmil
CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a
Descriptor: (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ...
Authors:Boettcher, J, Kessler, D.
Deposit date:2022-07-16
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.633 Å)
Cite:Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8B01
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BU of 8b01 by Molmil
Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Photobacterium profundum in a nanodisc
Descriptor: DECANE, DOCOSANE, HEXANE, ...
Authors:Davies, J.S, North, R.A, Dobson, R.C.J.
Deposit date:2022-09-06
Release date:2023-03-15
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
8AFI
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BU of 8afi by Molmil
GABARAP in complex with LIR motif of HsATG3
Descriptor: ACETATE ION, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ...
Authors:Farnung, J, Benoit, R.M, Corn, J.E, Bode, J.W.
Deposit date:2022-07-18
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Semisynthetic LC3 Probes for Autophagy Pathways Reveal a Noncanonical LC3 Interacting Region Motif Crucial for the Enzymatic Activity of Human ATG3.
Acs Cent.Sci., 9, 2023
8AW0
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BU of 8aw0 by Molmil
Crystal structure of PksD, the trans-acting acyl hydrolase domain from the bacillaene trans-AT PKS (native)
Descriptor: Polyketide biosynthesis acyltransferase homolog PksD, ZINC ION
Authors:Fage, C.D, Challis, G.L, Lewandowski, J, Jenner, M.
Deposit date:2022-08-28
Release date:2023-08-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for acyl hydrolysis in trans-AT polyketide synthases
To Be Published
8AVZ
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BU of 8avz by Molmil
Crystal structure of PksD, the trans-acting acyl hydrolase domain from the bacillaene trans-AT PKS (SeMet derivative)
Descriptor: Polyketide biosynthesis acyltransferase homolog PksD, ZINC ION
Authors:Fage, C.D, Challis, G.L, Lewandowski, J, Jenner, M.
Deposit date:2022-08-28
Release date:2023-08-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural basis for acyl hydrolysis in trans-AT polyketide synthases
To Be Published
8ANT
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BU of 8ant by Molmil
Crystal structure of 6xhis-tagged phi3T_93 protein
Descriptor: YopN, Phi3T_93
Authors:Zamora-Caballero, S, Marina, A.
Deposit date:2022-08-05
Release date:2023-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antagonistic interactions between phage and host factors control arbitrium lysis-lysogeny decision.
Nat Microbiol, 9, 2024
8ANU
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BU of 8anu by Molmil
Crystal structure of protein phi3T-93
Descriptor: NICKEL (II) ION, YopN. Phi3T_93
Authors:Zamora-Caballero, S, Marina, A.
Deposit date:2022-08-05
Release date:2023-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.310147 Å)
Cite:Antagonistic interactions between phage and host factors control arbitrium lysis-lysogeny decision.
Nat Microbiol, 9, 2024
8ANV
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BU of 8anv by Molmil
Crystal structure of phi3T_93 and phi3T AimX complex
Descriptor: Arbitrium putative lysogeny regulator, CALCIUM ION, NICKEL (II) ION, ...
Authors:Zamora-Caballero, S, Marina, A.
Deposit date:2022-08-05
Release date:2023-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antagonistic interactions between phage and host factors control arbitrium lysis-lysogeny decision.
Nat Microbiol, 9, 2024
8A1Q
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BU of 8a1q by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir)
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ...
Authors:Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P.
Deposit date:2022-06-01
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
8BJ6
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BU of 8bj6 by Molmil
Crystal structure of YopR
Descriptor: SPbeta prophage-derived uncharacterized protein YopR
Authors:Gallego del Sol, F, Marina, A.
Deposit date:2022-11-03
Release date:2023-11-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Characterization of a unique repression system present in arbitrium phages of the SPbeta family.
Cell Host Microbe, 31, 2023
8BJV
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BU of 8bjv by Molmil
Crystal structure of YopR
Descriptor: GLYCEROL, SPbeta prophage-derived uncharacterized protein YopR
Authors:Gallego del Sol, F, Marina, A.
Deposit date:2022-11-08
Release date:2023-11-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of a unique repression system present in arbitrium phages of the SPbeta family.
Cell Host Microbe, 31, 2023
8BPZ
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BU of 8bpz by Molmil
Crystal structure of YopR
Descriptor: SPbeta prophage-derived uncharacterized protein YopR
Authors:Gallego del Sol, F, Marina, A.
Deposit date:2022-11-18
Release date:2023-11-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of a unique repression system present in arbitrium phages of the SPbeta family.
Cell Host Microbe, 31, 2023
7WIN
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BU of 7win by Molmil
Crystal structure of BAZ2B TAM domain
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B
Authors:Feng, Y.Y, Liu, K, Min, J.R.
Deposit date:2022-01-04
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the BAZ2B TAM domain.
Heliyon, 8, 2022
7WUG
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BU of 7wug by Molmil
GID subcomplex: Gid12 bound Substrate Receptor Scaffolding module
Descriptor: Glucose-induced degradation protein 8, HLJ1_G0042170.mRNA.1.CDS.1, Vacuolar import and degradation protein 24, ...
Authors:Qiao, S, Cheng, J.D, Schulman, B.A.
Deposit date:2022-02-08
Release date:2022-06-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of Gid12-bound GID E3 reveal steric blockade as a mechanism inhibiting substrate ubiquitylation.
Nat Commun, 13, 2022
7YYK
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BU of 7yyk by Molmil
Crystal structure of the O-fucosylated form of TSRs1-3 from the human thrombospondin 1
Descriptor: 1,2-ETHANEDIOL, Thrombospondin-1, alpha-L-fucopyranose
Authors:Berardinelli, S.J, Eletsky, A, Valero-Gonzalez, J, Ito, A, Manjunath, R, Hurtado-Guerrero, R, Prestegard, J.R, Woods, R.J, Haltiwanger, R.S.
Deposit date:2022-02-18
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:O-fucosylation stabilizes the TSR3 motif in thrombospondin-1 by interacting with nearby amino acids and protecting a disulfide bond.
J.Biol.Chem., 298, 2022
5RXN
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BU of 5rxn by Molmil
COMBINED CRYSTALLOGRAPHIC REFINEMENT AND ENERGY MINIMIZATION OF RUBREDOXIN AT 1.2 ANGSTROM RESOLUTION
Descriptor: FE (III) ION, RUBREDOXIN
Authors:Watenpaugh, K.D.
Deposit date:1984-10-15
Release date:1985-04-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Combined Crystallographic Refinement and Energy Minimization of Rubredoxin at 1.2 Angstrom Resolution
To be Published
1MPL
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BU of 1mpl by Molmil
CRYSTAL STRUCTURE OF PHOSPHONATE-INHIBITED D-ALA-D-ALA PEPTIDASE REVEALS AN ANALOG OF A TETRAHEDRAL TRANSITION STATE
Descriptor: D-alanyl-D-alanine carboxypeptidase, GLYCEROL, GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
Authors:Silvaggi, N.R, Anderson, J.W, Brinsmade, S.R, Pratt, R.F, Kelly, J.A.
Deposit date:2002-09-12
Release date:2003-02-25
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:The Crystal Structure of Phosphonate-Inhibited d-Ala-d-Ala Peptidase Reveals an Analogue of a Tetrahedral Transition State.
Biochemistry, 42, 2003
1MP6
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BU of 1mp6 by Molmil
Structure of the transmembrane region of the M2 protein H+ channel by solid state NMR spectroscopy
Descriptor: Matrix protein M2
Authors:Wang, J, Kim, S, Kovacs, F, Cross, T.A.
Deposit date:2002-09-11
Release date:2002-09-25
Last modified:2024-05-22
Method:SOLID-STATE NMR
Cite:Structure of the transmembrane region of the M2 protein H(+) channel.
Protein Sci., 10, 2001
1MVX
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BU of 1mvx by Molmil
structure of the SET domain histone lysine methyltransferase Clr4
Descriptor: CRYPTIC LOCI REGULATOR 4, NICKEL (II) ION, SULFATE ION, ...
Authors:Min, J.R, Zhang, X, Cheng, X.D, Grewal, S.I.S, Xu, R.-M.
Deposit date:2002-09-26
Release date:2002-10-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the SET domain histone lysine methyltransferase Clr4.
Nat.Struct.Biol., 9, 2002
1MVH
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BU of 1mvh by Molmil
structure of the SET domain histone lysine methyltransferase Clr4
Descriptor: Cryptic loci regulator 4, NICKEL (II) ION, SULFATE ION, ...
Authors:Min, J.R, Zhang, X, Cheng, X.D, Grewal, S.I.S, Xu, R.-M.
Deposit date:2002-09-25
Release date:2002-10-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the SET domain histone lysine methyltransferase Clr4.
Nat.Struct.Biol., 9, 2002
2RJD
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BU of 2rjd by Molmil
Crystal structure of L3MBTL1 protein
Descriptor: Lethal(3)malignant brain tumor-like protein
Authors:Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2007-10-14
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
2RJC
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BU of 2rjc by Molmil
Crystal structure of L3MBTL1 protein in complex with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lethal(3)malignant brain tumor-like protein, SULFATE ION
Authors:Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2007-10-14
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
2RJF
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BU of 2rjf by Molmil
Crystal structure of L3MBTL1 in complex with H4K20Me2 (residues 12-30), orthorhombic form I
Descriptor: Histone H4, Lethal(3)malignant brain tumor-like protein
Authors:Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2007-10-14
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
7YUK
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BU of 7yuk by Molmil
Complex structure of BANP BEN domain bound to DNA
Descriptor: DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCEROL, Protein BANP
Authors:Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
Deposit date:2022-08-17
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUG
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BU of 7yug by Molmil
Structure of human BANP BEN domain
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, BROMIDE ION, CHLORIDE ION, ...
Authors:Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
Deposit date:2022-08-17
Release date:2023-04-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023

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