4D03
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![BU of 4d03 by Molmil](/molmil-images/mine/4d03) | Structure of the Cys65Asp mutant of phenylacetone monooxygenase: oxidised state | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Brondani, P.B, Dudek, H.M, Martinoli, C, Mattevi, A, Fraaije, M.W. | Deposit date: | 2014-04-24 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Finding the Switch: Turning a Baeyer-Villiger Monooxygenase Into a Nadph Oxidase. J.Am.Chem.Soc., 136, 2014
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4D04
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![BU of 4d04 by Molmil](/molmil-images/mine/4d04) | Structure of the Cys65Asp mutant of phenylacetone monooxygenase: reduced state | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Brondani, P.B, Dudek, H.M, Martinoli, C, Mattevi, A, Fraaije, M.W. | Deposit date: | 2014-04-24 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Finding the Switch: Turning a Baeyer-Villiger Monooxygenase Into a Nadph Oxidase. J.Am.Chem.Soc., 136, 2014
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8CN1
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![BU of 8cn1 by Molmil](/molmil-images/mine/8cn1) | hDLG1-PDZ1 in complex with a TAX1 peptide from HTLV-1 | Descriptor: | Disks large homolog 1, GLU-THR-GLU-VAL, SULFATE ION | Authors: | Maseko, S, Sogues, A, Volkov, A, Remaut, H, Twizere, J.C. | Deposit date: | 2023-02-21 | Release date: | 2023-08-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction. Antiviral Res., 217, 2023
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8CN3
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![BU of 8cn3 by Molmil](/molmil-images/mine/8cn3) | hDLG1-PDZ2 in complex with a TAX1 peptide from HTLV-1 | Descriptor: | Disks large homolog 1, GLU-THR-GLU-VAL | Authors: | Maseko, S, Sogues, A, Volkov, A, Remaut, H, Twizere, J.C. | Deposit date: | 2023-02-21 | Release date: | 2023-08-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction. Antiviral Res., 217, 2023
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4UMI
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![BU of 4umi by Molmil](/molmil-images/mine/4umi) | |
8PIA
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![BU of 8pia by Molmil](/molmil-images/mine/8pia) | DNA binding domain of HNF-1A bound to P2-HNF4A promoter DNA variant (P2 -181G>T) | Descriptor: | Chains: E, Chains: F, GLYCEROL, ... | Authors: | Kind, L, Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2023-06-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular mechanism of HNF-1A-mediated HNF4A gene regulation and promoter-driven HNF4A-MODY diabetes. JCI Insight, 9, 2024
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8PI8
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![BU of 8pi8 by Molmil](/molmil-images/mine/8pi8) | DNA binding domain of HNF-1A bound to P2-HNF4A promoter DNA | Descriptor: | Chains: E, Chains: F, GLYCEROL, ... | Authors: | Kind, L, Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2023-06-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular mechanism of HNF-1A-mediated HNF4A gene regulation and promoter-driven HNF4A-MODY diabetes. JCI Insight, 9, 2024
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8PI7
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![BU of 8pi7 by Molmil](/molmil-images/mine/8pi7) | DNA binding domain of HNF-1A bound to P2-HNF4A promoter DNA variant (P2 -169C>T) | Descriptor: | CHLORIDE ION, Chains: E, Chains: F, ... | Authors: | Kind, L, Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2023-06-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Molecular mechanism of HNF-1A-mediated HNF4A gene regulation and promoter-driven HNF4A-MODY diabetes. JCI Insight, 9, 2024
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8PI9
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![BU of 8pi9 by Molmil](/molmil-images/mine/8pi9) | DNA binding domain of HNF-1A bound to P2-HNF4A promoter DNA variant (P2 -181G>A) | Descriptor: | Chains: E, Chains: F, Hepatocyte nuclear factor 1-alpha | Authors: | Kind, L, Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2023-06-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular mechanism of HNF-1A-mediated HNF4A gene regulation and promoter-driven HNF4A-MODY diabetes. JCI Insight, 9, 2024
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8EOC
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![BU of 8eoc by Molmil](/molmil-images/mine/8eoc) | Crystal structure of E.coli DsbA mutant E24A/K58A | Descriptor: | COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-03 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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8EQQ
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![BU of 8eqq by Molmil](/molmil-images/mine/8eqq) | Crystal structure of E.coli DsbA mutant E37A | Descriptor: | CITRATE ANION, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-09 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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8EQO
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![BU of 8eqo by Molmil](/molmil-images/mine/8eqo) | Crystal structure of E.coli DsbA mutant K58A | Descriptor: | COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-08 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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8EQP
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![BU of 8eqp by Molmil](/molmil-images/mine/8eqp) | Crystal structure of E.coli DsbA mutant E24A/E37A/K58A | Descriptor: | CITRATE ANION, GLYCEROL, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-09 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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8EQR
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![BU of 8eqr by Molmil](/molmil-images/mine/8eqr) | Crystal structure of E.coli DsbA mutant E24A | Descriptor: | DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-09 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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3IKP
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![BU of 3ikp by Molmil](/molmil-images/mine/3ikp) | |
3IKN
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![BU of 3ikn by Molmil](/molmil-images/mine/3ikn) | |
3IKR
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![BU of 3ikr by Molmil](/molmil-images/mine/3ikr) | |
3IKQ
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![BU of 3ikq by Molmil](/molmil-images/mine/3ikq) | |
1HB5
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![BU of 1hb5 by Molmil](/molmil-images/mine/1hb5) | quasi-atomic resolution model of bacteriophage PRD1 P3-shell, obtained by combined cryo-EM and X-ray crystallography. | Descriptor: | BACTERIOPHAGE PRD1 P3-SHELL | Authors: | San Martin, C, Burnett, R.M, De Haas, F, Heinkel, R, Rutten, T, Fuller, S.D, Butcher, S.J, Bamford, D.H. | Deposit date: | 2001-04-11 | Release date: | 2001-12-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (12 Å) | Cite: | Combined Em/X-Ray Imaging Yields a Quasi-Atomic Model of the Adenovirus-Related Bacteriophage Prd1 and Shows Key Capsid and Membrane Interactions. Structure, 9, 2001
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8BE7
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![BU of 8be7 by Molmil](/molmil-images/mine/8be7) | |
8BE8
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![BU of 8be8 by Molmil](/molmil-images/mine/8be8) | Crystal structure of SOS1-HRas-peptidomimetic4 | Descriptor: | FORMIC ACID, GTPase HRas, SOS1-HRas-peptidomimetic4, ... | Authors: | Fischer, B, Wohlkonig, A, Steyaert, J. | Deposit date: | 2022-10-21 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BE9
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![BU of 8be9 by Molmil](/molmil-images/mine/8be9) | Crystal structure of SOS1-HRas-peptidomimetic5 | Descriptor: | CHLORIDE ION, FORMIC ACID, GTPase HRas, ... | Authors: | Fischer, B, Wohlkonig, A, Steyaert, J. | Deposit date: | 2022-10-21 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BEA
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![BU of 8bea by Molmil](/molmil-images/mine/8bea) | |
8BE6
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![BU of 8be6 by Molmil](/molmil-images/mine/8be6) | Crystal structure of SOS1-HRas-peptidomimetic2 | Descriptor: | GTPase HRas, SOS1-HRas-peptidomimetic2, Son of sevenless homolog 1 | Authors: | Fischer, B, Wohlkonig, A, Steyaert, J. | Deposit date: | 2022-10-21 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.89880252 Å) | Cite: | Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS. Angew.Chem.Int.Ed.Engl., 62, 2023
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6NRH
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![BU of 6nrh by Molmil](/molmil-images/mine/6nrh) | Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63 | Descriptor: | 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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