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4HK2
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BU of 4hk2 by Molmil
U7Ub25.2540
Descriptor: SULFATE ION, Ubiquitin
Authors:Murray, J.M, Rouge, L.
Deposit date:2012-10-14
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
4HJK
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BU of 4hjk by Molmil
U7Ub7 Disulfide variant
Descriptor: PHOSPHATE ION, Ubiquitin
Authors:Murray, J.M, Rouge, L.
Deposit date:2012-10-12
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
3CC0
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BU of 3cc0 by Molmil
The Dvl2 PDZ Domain in Complex with the N3 Inhibitory Peptide
Descriptor: Dishevelled-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
3CBY
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BU of 3cby by Molmil
The Dvl2 PDZ Domain in Complex with the N1 Inhibitory Peptide
Descriptor: 1,2-ETHANEDIOL, Dishevelled-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
3CBX
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BU of 3cbx by Molmil
The Dvl2 PDZ Domain in Complex with the C1 Inhibitory Peptide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Dishevelled-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
3CBZ
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BU of 3cbz by Molmil
The Dvl2 PDZ Domain in Complex with the N2 Inhibitory Peptide
Descriptor: 1,2-ETHANEDIOL, Dishevelled-2, PHOSPHATE ION
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
4S00
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BU of 4s00 by Molmil
Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP mutant Y366A in complex with acrylate
Descriptor: ACRYLIC ACID, FE (III) ION, GLYCEROL, ...
Authors:Zhang, Y, Wang, P.
Deposit date:2014-12-27
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural and molecular basis for the novel catalytic mechanism and evolution of DddP, an abundant peptidase-like bacterial Dimethylsulfoniopropionate lyase: a new enzyme from an old fold.
Mol.Microbiol., 98, 2015
4RZY
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BU of 4rzy by Molmil
Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP in complex with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE (III) ION, Peptidase M24
Authors:Zhang, Y, Wang, P.
Deposit date:2014-12-26
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Structural and molecular basis for the novel catalytic mechanism and evolution of DddP, an abundant peptidase-like bacterial Dimethylsulfoniopropionate lyase: a new enzyme from an old fold.
Mol.Microbiol., 98, 2015
4S01
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BU of 4s01 by Molmil
Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP mutant D377N in complex with acrylate
Descriptor: ACRYLIC ACID, FE (III) ION, GLYCEROL, ...
Authors:Zhang, Y, Wang, P.
Deposit date:2014-12-27
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and molecular basis for the novel catalytic mechanism and evolution of DddP, an abundant peptidase-like bacterial Dimethylsulfoniopropionate lyase: a new enzyme from an old fold.
Mol.Microbiol., 98, 2015
4RZZ
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BU of 4rzz by Molmil
Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP in complex with phosphate
Descriptor: FE (III) ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Zhang, Y, Wang, P.
Deposit date:2014-12-27
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and molecular basis for the novel catalytic mechanism and evolution of DddP, an abundant peptidase-like bacterial Dimethylsulfoniopropionate lyase: a new enzyme from an old fold.
Mol.Microbiol., 98, 2015
7D0A
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BU of 7d0a by Molmil
Acinetobacter MlaFEDB complex in ADP-vanadate trapped Vclose conformation
Descriptor: ABC transporter ATP-binding protein, ADENOSINE-5'-DIPHOSPHATE, Anti-sigma factor antagonist, ...
Authors:Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y.
Deposit date:2020-09-09
Release date:2020-12-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter.
Cell Discov, 6, 2020
7D08
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BU of 7d08 by Molmil
Acinetobacter MlaFEDB complex in ATP-bound Vtrans1 conformation
Descriptor: ABC transporter ATP-binding protein, ADENOSINE-5'-TRIPHOSPHATE, Anti-sigma factor antagonist, ...
Authors:Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y.
Deposit date:2020-09-09
Release date:2020-12-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter.
Cell Discov, 6, 2020
7D09
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BU of 7d09 by Molmil
Acinetobacter MlaFEDB complex in ATP-bound Vtrans2 conformation
Descriptor: ABC transporter ATP-binding protein, ADENOSINE-5'-TRIPHOSPHATE, Anti-sigma factor antagonist, ...
Authors:Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y.
Deposit date:2020-09-09
Release date:2020-12-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter.
Cell Discov, 6, 2020
7D06
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BU of 7d06 by Molmil
Cryo EM structure of the nucleotide free Acinetobacter MlaFEDB complex
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, ABC transporter ATP-binding protein, Anti-sigma factor antagonist, ...
Authors:Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y.
Deposit date:2020-09-09
Release date:2020-12-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter.
Cell Discov, 6, 2020
8TCC
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BU of 8tcc by Molmil
GTP Cyclohydrolase-IB with dehydrocostus lactone
Descriptor: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, MANGANESE (II) ION, ...
Authors:McWhorter, K.L, Amaya Lopez, C.Y, Davis, K.M.
Deposit date:2023-06-30
Release date:2024-07-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Combatting melioidosis with chemical synthetic lethality
To be published
4FK3
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BU of 4fk3 by Molmil
B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203
Descriptor: N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide, Serine/threonine-protein kinase B-raf
Authors:Zhang, Y, Wang, W, Zhang, K.Y.J.
Deposit date:2012-06-12
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity.
Proc.Natl.Acad.Sci.USA, 105, 2008
6JJI
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BU of 6jji by Molmil
Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4 (1:1)
Descriptor: (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3')
Authors:Zhang, Y.S, Parkinson, G.N, Wei, D.G.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
6JJH
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BU of 6jjh by Molmil
Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4
Descriptor: (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3')
Authors:Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
6JJF
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BU of 6jjf by Molmil
Crystal structure of a two-quartet DNA mixed-parallel/antiparallel G-quadruplex
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3'), POTASSIUM ION, ...
Authors:Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
6BGN
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BU of 6bgn by Molmil
Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate
Descriptor: 2-hydroxymuconate tautomerase, 5-fluoranyl-2-oxidanylidene-pentanoic acid, GLYCEROL, ...
Authors:Zhang, Y, Li, W, Stack, T.
Deposit date:2017-10-29
Release date:2018-02-21
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Inactivation of 4-Oxalocrotonate Tautomerase by 5-Halo-2-hydroxy-2,4-pentadienoates.
Biochemistry, 57, 2018
7VWP
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BU of 7vwp by Molmil
Structure of the flavin-dependent monooxygenase FlsO1 from the biosynthesis of fluostatinsin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FlsO1, PHOSPHATE ION, ...
Authors:Zhang, Y, Yang, C, Zhang, L, Zhang, C.
Deposit date:2021-11-11
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biochemical and structural insights of multifunctional flavin-dependent monooxygenase FlsO1-catalyzed unexpected xanthone formation
Nat Commun, 13, 2022
7Y56
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BU of 7y56 by Molmil
Crystal structure of NS1 nuclease domain in P41212 space group
Descriptor: GLYCEROL, NS1 protein
Authors:Zhang, X.Y, Gan, J.H.
Deposit date:2022-06-16
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structures and implications of the nuclease domain of human parvovirus B19 NS1 protein.
Comput Struct Biotechnol J, 20, 2022
7Y57
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BU of 7y57 by Molmil
Crystal structure of NS1 nuclease domain in P21 space group
Descriptor: NS1 protein, PHOSPHATE ION
Authors:Zhang, X.Y, Gan, J.H.
Deposit date:2022-06-16
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.183 Å)
Cite:Structures and implications of the nuclease domain of human parvovirus B19 NS1 protein.
Comput Struct Biotechnol J, 20, 2022
7E16
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BU of 7e16 by Molmil
crystal structure of GDSL esterase from Geobacillus thermodenitrificans
Descriptor: GDSL-family esterase
Authors:Chen, L.
Deposit date:2021-01-31
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Rational engineering of substrate selectivity of GDSL esterase from Geobacillus thermodenitrificans
To Be Published
7FEW
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BU of 7few by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin gold analogues
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cAMP-activated global transcriptional regulator Vfr
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023

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數據於2024-08-14公開中

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