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9BJA
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BU of 9bja by Molmil
C. difficile Tcdb cysteine protease domain in complex with IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Toxin B
Authors:Veyron, S, Cummer, R.
Deposit date:2024-04-25
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity relationship of inositol thiophosphate analogs as allosteric activators of Clostridioides difficile Toxin B
Chemrxiv, 2024
5J7K
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BU of 5j7k by Molmil
Loop grafting onto a highly stable FN3 scaffold
Descriptor: FN3con-a-lys, ZINC ION
Authors:Porebski, B.T, Drinkwater, N, McGowan, S, Buckle, A.M.
Deposit date:2016-04-06
Release date:2016-08-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Circumventing the stability-function trade-off in an engineered FN3 domain.
Protein Eng.Des.Sel., 2016
8ZMM
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BU of 8zmm by Molmil
Structure of a triple-helix region of human Collagen type IV from Trautec
Descriptor: collagen type IV
Authors:Chu, Y, Zhai, Y, Fan, X, Fu, S, Li, J, Wu, X, Cai, H, Wang, X, Li, D, Feng, P, Cao, K, Qian, S.
Deposit date:2024-05-23
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a triple-helix region of human Collagen type IV from Trautec
To Be Published
5J7W
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BU of 5j7w by Molmil
Enterococcus faecalis thymidylate synthase complex with methotrexate
Descriptor: METHOTREXATE, SULFATE ION, Thymidylate synthase
Authors:Mangani, S, Pozzi, C.
Deposit date:2016-04-07
Release date:2016-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors.
Eur.J.Med.Chem., 123, 2016
8ZKV
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BU of 8zkv by Molmil
Crystal structure of mutant catalytic domains of threonine deaminase in complex with PLP
Descriptor: GLYCEROL, L-threonine dehydratase biosynthetic IlvA, SULFATE ION
Authors:Khodi, S.
Deposit date:2024-05-17
Release date:2024-06-12
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Dimer-Tetramer Transition Modulates the Allosteric Regulation of Threonine Deaminase
To Be Published
8IUA
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BU of 8iua by Molmil
Crystal structure of GH66 endodextranase from Flavobacterium johnsoniae in complex with isomaltose
Descriptor: Candidate dextranase Glycoside hydrolase family 66, SODIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
Authors:Nakamura, S, Miyazaki, T.
Deposit date:2023-03-24
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bacteroidota polysaccharide utilization system for branched dextran exopolysaccharides from lactic acid bacteria.
J.Biol.Chem., 299, 2023
5JFY
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BU of 5jfy by Molmil
Crystal structure of a plant cytidine deaminase
Descriptor: ACETATE ION, CHLORIDE ION, Deoxycytidine deaminase, ...
Authors:Taylor, M.W, Lee, J.E.
Deposit date:2016-04-19
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:To be published
To Be Published
9EUC
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BU of 9euc by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 23b
Descriptor: (1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Buffa, V, Hausch, F.
Deposit date:2024-03-27
Release date:2024-06-12
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
8JFS
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BU of 8jfs by Molmil
Phosphate bound acylphosphatase from Deinococcus radiodurans at 1 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, Acylphosphatase, CITRIC ACID, ...
Authors:Khakerwala, Z, Kumar, A, Makde, R.D.
Deposit date:2023-05-18
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal structure of phosphate bound Acyl phosphatase mini-enzyme from Deinococcus radiodurans at 1 angstrom resolution.
Biochem.Biophys.Res.Commun., 671, 2023
5JGK
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BU of 5jgk by Molmil
Crystal structure of GtmA in complex with SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, UbiE/COQ5 family methyltransferase, ...
Authors:Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Dolye, S.
Deposit date:2016-04-20
Release date:2017-03-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
8ZM1
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BU of 8zm1 by Molmil
Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 6
Descriptor: (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
Authors:Akai, S, Orita, T, Nomura, A, Adachi, T.
Deposit date:2024-05-22
Release date:2024-06-19
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.
Bioorg.Med.Chem.Lett., 109, 2024
5JHB
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BU of 5jhb by Molmil
Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin3
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
Authors:Burke, J.E, Inglis, A.J, Williams, R.L.
Deposit date:2016-04-20
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
8ZMW
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BU of 8zmw by Molmil
Structure of a triple-helix region of human Collagen type VII from Trautec
Descriptor: ACETATE ION, collagen type VII
Authors:Chu, Y, Zhai, Y, Fan, X, Fu, S, Li, J, Wu, X, Cai, H, Wang, X, Li, D, Feng, P, Cao, K, Qian, S.
Deposit date:2024-05-24
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of a triple-helix region of human Collagen type VII from Trautec
To Be Published
5A6T
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BU of 5a6t by Molmil
1.65 A resolution Sulphite inhibited Sporosarcina pasteurii urease
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, SULFATE ION, ...
Authors:Mazzei, L, Cianci, M, Benini, S, Bertini, L, Musiani, F, Ciurli, S.
Deposit date:2015-07-01
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Kinetic and Structural Studies Reveal a Unique Binding Mode of Sulfite to the Nickel Center in Urease.
J.Inorg.Biochem., 154, 2015
8IU9
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BU of 8iu9 by Molmil
Crystal structure of GH66 endodextranase from Flavobacterium johnsoniae in complex with glucose
Descriptor: Candidate dextranase Glycoside hydrolase family 66, SODIUM ION, alpha-D-glucopyranose, ...
Authors:Nakamura, S, Miyazaki, T.
Deposit date:2023-03-24
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bacteroidota polysaccharide utilization system for branched dextran exopolysaccharides from lactic acid bacteria.
J.Biol.Chem., 299, 2023
9EN2
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BU of 9en2 by Molmil
Crystal structure of the metalloproteinase enhancer PCPE-1 complexed with nanobodies VHH-H4 and VHH-I5
Descriptor: CALCIUM ION, GLYCEROL, Procollagen C-endopeptidase enhancer 1, ...
Authors:Lagoutte, P, Gueguen-Chaignon, V, Bourhis, J.-M, Vadon-Le Goff, S.
Deposit date:2024-03-12
Release date:2024-07-03
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mono- and Bi-specific Nanobodies Targeting the CUB Domains of PCPE-1 Reduce the Proteolytic Processing of Fibrillar Procollagens.
J.Mol.Biol., 436, 2024
8IU8
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BU of 8iu8 by Molmil
Crystal structure of GH66 endodextranase from Flavobacterium johnsoniae
Descriptor: Candidate dextranase Glycoside hydrolase family 66, GLYCEROL
Authors:Nakamura, S, Miyazaki, T.
Deposit date:2023-03-24
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bacteroidota polysaccharide utilization system for branched dextran exopolysaccharides from lactic acid bacteria.
J.Biol.Chem., 299, 2023
8ZWV
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BU of 8zwv by Molmil
The Crystal Structure of carbonic anhydrase II from Biortus.
Descriptor: 1,2-ETHANEDIOL, Carbonic anhydrase 2, ZINC ION, ...
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C.
Deposit date:2024-06-13
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of carbonic anhydrase II from Biortus.
To Be Published
8IUC
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BU of 8iuc by Molmil
Crystal structure of GH65 alpha-1,2-glucosidase from Flavobacterium johnsoniae in complex with isomaltose
Descriptor: 1,2-ETHANEDIOL, Candidate alpha glycoside phosphorylase Glycoside hydrolase family 65, alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose
Authors:Nakamura, S, Miyazaki, T.
Deposit date:2023-03-24
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Bacteroidota polysaccharide utilization system for branched dextran exopolysaccharides from lactic acid bacteria.
J.Biol.Chem., 299, 2023
8IUB
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BU of 8iub by Molmil
Crystal structure of GH66 endodextranase from Flavobacterium johnsoniae in complex with isomaltotriose
Descriptor: Candidate dextranase Glycoside hydrolase family 66, SODIUM ION, SULFATE ION, ...
Authors:Nakamura, S, Miyazaki, T.
Deposit date:2023-03-24
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Bacteroidota polysaccharide utilization system for branched dextran exopolysaccharides from lactic acid bacteria.
J.Biol.Chem., 299, 2023
9C0O
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BU of 9c0o by Molmil
Crystal structure of DmCfp1 PHD finger bound to H3K4me3
Descriptor: CXXC-type zinc finger protein 1, DIMETHYL SULFOXIDE, Histone H3.3C, ...
Authors:Gregoire, S, Couture, J.F.
Deposit date:2024-05-27
Release date:2024-07-03
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural insights into an atypical histone binding mechanism by a PHD finger.
Structure, 32, 2024
8ZKD
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BU of 8zkd by Molmil
The Crystal Structure of the RON from Biortus.
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Macrophage-stimulating protein receptor beta chain, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Pan, W.
Deposit date:2024-05-16
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Crystal Structure of the RON from Biortus.
To Be Published
5IWE
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BU of 5iwe by Molmil
E45Q mutant of phenazine biosynthesis protein PhzF in complex with (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate
Descriptor: (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Diederich, C, Blankenfeldt, W.
Deposit date:2016-03-22
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Mechanisms and Specificity of Phenazine Biosynthesis Protein PhzF.
Sci Rep, 7, 2017
8ITH
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BU of 8ith by Molmil
Crystal structure of lasso peptide epimerase MslH H295N
Descriptor: CALCIUM ION, GLYCEROL, Poly-gamma-glutamate synthesis protein (Capsule biosynthesis protein)
Authors:Nakashima, Y, Hiroyuki, M.
Deposit date:2023-03-22
Release date:2023-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
5IX3
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BU of 5ix3 by Molmil
Crystal structure of N-acetyltransferase from Staphylococcus aureus.
Descriptor: Diamine N-acetyltransferase
Authors:Srivastava, P, Khandokar, Y, Forwood, J.
Deposit date:2016-03-23
Release date:2017-04-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of N-acetyltransferase from Staphylococcus aureus.
To Be Published

225681

数据于2024-10-02公开中

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