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8AI5
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BU of 8ai5 by Molmil
Crystal structure of radical SAM epimerase EpeE C223A mutant from Bacillus subtilis with [4Fe-4S] clusters, S-adenosyl-L-homocysteine and RiPP peptide 6 bound
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, ...
Authors:Polsinelli, I, Fyfe, C.D, Legrand, P, Kubiak, X, Chavas, L.M.G, Berteau, O, Benjdia, A.
Deposit date:2022-07-25
Release date:2024-01-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and mechanistic basis for RiPP epimerization by a radical SAM enzyme.
Nat.Chem.Biol., 20, 2024
4RP2
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BU of 4rp2 by Molmil
Sequence and structure of a self-assembled 3-D DNA crystal: D(GGATAGCTAGGAG)
Descriptor: D(GGATAGCTAGGAG), MAGNESIUM ION
Authors:Saoji, M.M, Paukstelis, P.J.
Deposit date:2014-10-29
Release date:2015-06-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Probing the role of sequence in the assembly of three-dimensional DNA crystals.
Biopolymers, 103, 2015
4ROY
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BU of 4roy by Molmil
Sequence and structure of a self-assembled 3-D DNA crystal: D(GGACGATCGGGAG)
Descriptor: D(GGACGATCGGGAG), MAGNESIUM ION
Authors:Saoji, M.M, Paukstelis, P.J.
Deposit date:2014-10-29
Release date:2015-06-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Probing the role of sequence in the assembly of three-dimensional DNA crystals.
Biopolymers, 103, 2015
4ROG
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BU of 4rog by Molmil
Sequence and structure of a self-assembled 3-D DNA crystal: D(GGACACGTGGGAG)
Descriptor: D(GGACACGTGGGAG), MAGNESIUM ION
Authors:Saoji, M.M, Paukstelis, P.J.
Deposit date:2014-10-28
Release date:2015-06-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Probing the role of sequence in the assembly of three-dimensional DNA crystals.
Biopolymers, 103, 2015
4ROK
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BU of 4rok by Molmil
Sequence and structure of a self-assembled 3-D DNA crystal: D(GGACAGCTGGGAG)
Descriptor: D(GGACAGCTGGGAG), MAGNESIUM ION
Authors:Saoji, M.M, Paukstelis, P.J.
Deposit date:2014-10-28
Release date:2015-06-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Probing the role of sequence in the assembly of three-dimensional DNA crystals.
Biopolymers, 103, 2015
4RON
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BU of 4ron by Molmil
Sequence and structure of a self-assembled 3-D DNA crystal: D(GGACCATGGGGAG)
Descriptor: D(GGACCATGGGGAG), MAGNESIUM ION
Authors:Saoji, M.M, Paukstelis, P.J.
Deposit date:2014-10-28
Release date:2015-06-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Probing the role of sequence in the assembly of three-dimensional DNA crystals.
Biopolymers, 103, 2015
4RVH
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BU of 4rvh by Molmil
Crystal structure of MtmC in complex with SAH and TDP-4-keto-D-olivose
Descriptor: D-mycarose 3-C-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
Authors:Tsodikov, O.V, Hou, C, Chen, J.-M, Rohr, J.
Deposit date:2014-11-26
Release date:2015-01-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insight into MtmC, a Bifunctional Ketoreductase-Methyltransferase Involved in the Assembly of the Mithramycin Trisaccharide Chain.
Biochemistry, 54, 2015
4RP0
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BU of 4rp0 by Molmil
Sequence and structure of a self-assembled 3-D DNA crystal: D(GGATAATTAGGAG)
Descriptor: D(GGATAATTAGGAG), MAGNESIUM ION
Authors:Saoji, M.M, Paukstelis, P.J.
Deposit date:2014-10-29
Release date:2015-06-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Probing the role of sequence in the assembly of three-dimensional DNA crystals.
Biopolymers, 103, 2015
4ROO
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BU of 4roo by Molmil
Sequence and structure of a self-assembled 3-D DNA crystal: D(GGACCGCGGGGAG)
Descriptor: D(GGACCGCGGGGAG), MAGNESIUM ION
Authors:Saoji, M.M, Paukstelis, P.J.
Deposit date:2014-10-28
Release date:2015-06-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Probing the role of sequence in the assembly of three-dimensional DNA crystals.
Biopolymers, 103, 2015
4ROZ
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BU of 4roz by Molmil
Sequence and structure of a self-assembled 3-D DNA crystal: D(GGACGGCCGGGAG)
Descriptor: D(GGACGGCCGGGAG), MAGNESIUM ION
Authors:Saoji, M.M, Paukstelis, P.J.
Deposit date:2014-10-29
Release date:2015-06-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Probing the role of sequence in the assembly of three-dimensional DNA crystals.
Biopolymers, 103, 2015
4RP1
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BU of 4rp1 by Molmil
Sequence and structure of a self-assembled 3-D DNA crystal: D(GGATACGTAGGAG)
Descriptor: D(GGATACGTAGGAG), MAGNESIUM ION
Authors:Saoji, M.M, Paukstelis, P.J.
Deposit date:2014-10-29
Release date:2015-06-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Probing the role of sequence in the assembly of three-dimensional DNA crystals.
Biopolymers, 103, 2015
4RO7
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BU of 4ro7 by Molmil
Sequence and structure of a self-assembled 3-D DNA crystal: D(GGAAAGCTTGGAG)
Descriptor: D(GGAAAGCTTGGAG), MAGNESIUM ION
Authors:Saoji, M.M, Paukstelis, P.J.
Deposit date:2014-10-28
Release date:2015-06-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Probing the role of sequence in the assembly of three-dimensional DNA crystals.
Biopolymers, 103, 2015
4RO8
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BU of 4ro8 by Molmil
Sequence and structure of a self-assembled 3-D DNA crystal: D(GGAATCGATGGAG)
Descriptor: D(GGAATCGATGGAG), MAGNESIUM ION
Authors:Saoji, M.M, Paukstelis, P.J.
Deposit date:2014-10-28
Release date:2015-06-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Probing the role of sequence in the assembly of three-dimensional DNA crystals.
Biopolymers, 103, 2015
8CK1
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BU of 8ck1 by Molmil
Carin 1 bacteriophage tail, connector and tail fibers assembly
Descriptor: Connector Protein, Tail Nozzle, Tail fibers Dpo36
Authors:d'Acapito, A, Neumann, E, Schoehn, G.
Deposit date:2023-02-14
Release date:2023-03-15
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural Study of the Cobetia marina Bacteriophage 1 (Carin-1) by Cryo-EM.
J.Virol., 97, 2023
8CJZ
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BU of 8cjz by Molmil
Carin1 bacteriophage mature capsid
Descriptor: Capsid Decoration Protein, Major Capsid Protein, Spike Base Protein
Authors:d'Acapito, A, Neumann, E, Schoehn, G.
Deposit date:2023-02-14
Release date:2023-03-15
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural Study of the Cobetia marina Bacteriophage 1 (Carin-1) by Cryo-EM.
J.Virol., 97, 2023
2QP6
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BU of 2qp6 by Molmil
The crystal structure of the complex of hcaII with a bioreductive antitumor derivative
Descriptor: 2-chloro-5-nitrobenzenesulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2007-07-23
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Carbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides with Selectivity for Targeting the Tumor Associated Isoforms IX and XII.
J.Med.Chem., 51, 2008
8BI8
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BU of 8bi8 by Molmil
Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase
Descriptor: Nitric oxide synthase, brain
Authors:Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2022-11-01
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction.
J.Med.Chem., 66, 2023
5KWX
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BU of 5kwx by Molmil
NMR Solution Structure of Designed Peptide NC_EEH_D1
Descriptor: Designed peptide NC_EEH_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
8PPG
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BU of 8ppg by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate/ADP/Mn after reaction
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPJ
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BU of 8ppj by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate/ADP/Mn after reaction
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
4XPP
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BU of 4xpp by Molmil
Crystal structure of Pedobacter saltans GH31 alpha-galactosidase complexed with D-galactose
Descriptor: 1,2-ETHANEDIOL, Alpha-glucosidase, beta-D-galactopyranose
Authors:Miyazaki, T, Ishizaki, Y, Ichikawa, M, Nishikawa, A, Tonozuka, T.
Deposit date:2015-01-17
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and biochemical characterization of novel bacterial alpha-galactosidases belonging to glycoside hydrolase family 31
Biochem.J., 469, 2015
5KX2
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BU of 5kx2 by Molmil
NMR Solution Structure of Designed Peptide NC_cEE_D1
Descriptor: Designed peptide NC_cEE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5KVN
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BU of 5kvn by Molmil
NMR Solution Structure of Designed Peptide NC_HEE_D1
Descriptor: Designed peptide NC_HEE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-14
Release date:2016-09-21
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
4U6G
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BU of 4u6g by Molmil
Crystal structure of 10E8 Fab in complex with a hydrocarbon-stapled HIV-1 gp41 MPER peptide
Descriptor: 10E8 Fab Heavy Chain, 10E8 Fab Light Chain, SAH-MPER(662-683KKK)(B,q)
Authors:Ofek, G, Bird, G.H, Walensky, L.D, Kwong, P.D.
Deposit date:2014-07-28
Release date:2014-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (4.2012 Å)
Cite:Structural Fidelity and Neutralizing Antibody Binding Capacity of Hydrocarbon-Stapled HIV-1 Antigens
To be published
2QOA
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BU of 2qoa by Molmil
Crystal structure of the complex of hcaii with an indane-sulfonamide inhibitor
Descriptor: CHLORIDE ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2007-07-20
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carbonic Anhydrase Inhibitors: Binding of Indanesulfonamides to the Human Isoform II.
Chemmedchem, 3, 2007

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