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5AJJ
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BU of 5ajj by Molmil
Crystal structure of variola virus virulence factor F1L in complex with human Bid BH3 domain
Descriptor: ACETATE ION, BH3-INTERACTING DOMAIN DEATH AGONIST, GLYCEROL, ...
Authors:Kvansakul, M, Colman, P.M.
Deposit date:2015-02-25
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Variola Virus F1L is a Bcl-2-Like Protein that Unlike its Vaccinia Virus Counterpart Inhibits Apoptosis Independent of Bim.
Cell Death Dis., 6, 2015
4FXE
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BU of 4fxe by Molmil
Crystal structure of the intact E. coli RelBE toxin-antitoxin complex
Descriptor: Antitoxin RelB, SULFATE ION, mRNA interferase RelE
Authors:Brodersen, D.E, Boggild, A, Sofos, N.
Deposit date:2012-07-03
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7503 Å)
Cite:The crystal structure of the intact E. coli RelBE toxin-antitoxin complex provides the structural basis for conditional cooperativity.
Structure, 20, 2012
7PQ8
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BU of 7pq8 by Molmil
Crystal structure of Campylobacter jejuni DsbA1
Descriptor: TETRAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
Authors:Orlikowska, M, Bocian-Ostrzycka, K.M, Banas, A.M, Jagusztyn-Krynicka, E.K.
Deposit date:2021-09-16
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.329 Å)
Cite:Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis.
Int J Mol Sci, 22, 2021
2RA3
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BU of 2ra3 by Molmil
Human cationic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI)
Descriptor: CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ...
Authors:Salameh, M.A, Soares, A.S, Radisky, E.S.
Deposit date:2007-09-14
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Basis for Accelerated Cleavage of Bovine Pancreatic Trypsin Inhibitor (BPTI) by Human Mesotrypsin.
J.Biol.Chem., 283, 2008
1M0O
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BU of 1m0o by Molmil
Structure of Dialkylglycine Decarboxylase Complexed with 1-Amino-1-methylpropanephosphonate
Descriptor: (1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-METHYLPROPYLPHOSPHONIC ACID, 2,2-Dialkylglycine decarboxylase, POTASSIUM ION, ...
Authors:Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D.
Deposit date:2002-06-13
Release date:2002-10-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002
7PRG
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BU of 7prg by Molmil
Joint X-ray/neutron room temperature structure of perdeuterated LecB lectin in complex with perdeuterated fucose
Descriptor: CALCIUM ION, Fucose-binding lectin, SULFATE ION, ...
Authors:Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A.
Deposit date:2021-09-21
Release date:2022-01-12
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
Cite:Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
7POM
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BU of 7pom by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Authors:Leitans, J, Tars, K.
Deposit date:2021-09-09
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
5AKL
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BU of 5akl by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE, SULFATE ION
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-03
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
1M7Y
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BU of 1m7y by Molmil
Crystal structure of apple ACC synthase in complex with L-aminoethoxyvinylglycine
Descriptor: (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 1-aminocyclopropane-1-carboxylate synthase
Authors:Capitani, G, McCarthy, D, Gut, H, Gruetter, M.G, Kirsch, J.F.
Deposit date:2002-07-23
Release date:2002-12-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Apple 1-Aminocyclopropane-1-carboxylate Synthase in Complex with the Inhibitor L-Aminoethoxyvinylglycine
J.Biol.Chem., 277, 2002
7GLQ
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BU of 7glq by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with PET-UNK-8df914d1-2 (Mpro-P2007)
Descriptor: 2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide, 3C-like proteinase, CHLORIDE ION, ...
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.063 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7PSY
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BU of 7psy by Molmil
X-ray crystal structure of perdeuterated LecB lectin in complex with perdeuterated fucose
Descriptor: CALCIUM ION, Fucose-binding lectin, SULFATE ION, ...
Authors:Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A.
Deposit date:2021-09-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
8TKN
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BU of 8tkn by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 10-mer kappaB DNA from human Neutrophil Gelatinase-associated Lipocalin (NGAL) promoter
Descriptor: DNA A, DNA B, Nuclear factor NF-kappa-B p50 subunit
Authors:Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T.
Deposit date:2023-07-25
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
5A0U
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BU of 5a0u by Molmil
Structure of CutC choline lyase choline bound form from Klebsiella pneumoniae.
Descriptor: CHOLINE ION, CHOLINE TRIMETHYLAMINE LYASE
Authors:Kalnins, G, Tars, K.
Deposit date:2015-04-23
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and Function of Cutc Choline Lyase from Human Microbiota Bacterium Klebsiella Pneumoniaee
J.Biol.Chem., 290, 2015
2RCV
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BU of 2rcv by Molmil
Crystal structure of the Bacillus subtilis superoxide dismutase
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn]
Authors:Liu, P, Ewis, H.E, Huang, Y.J, Lu, C.D, Tai, P.C, Weber, I.T.
Deposit date:2007-09-20
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Bacillus subtilis superoxide dismutase.
Acta Crystallogr.,Sect.F, 63, 2007
7PX9
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BU of 7px9 by Molmil
Substrate-engaged mycobacterial Proteasome-associated ATPase - focused 3D refinement (state A)
Descriptor: AAA ATPase forming ring-shaped complexes, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Jomaa, A, Kavalchuk, M, Weber-Ban, E.
Deposit date:2021-10-08
Release date:2022-01-19
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Nat Commun, 13, 2022
5A4O
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BU of 5a4o by Molmil
Crystal structure of BPSL1147, a PC4 homolog from Burkholderia pseudomallei K96243 (orthorhombic crystal form)
Descriptor: BPSL1147, CHLORIDE ION
Authors:Werten, S, Bayer, N, Hinrichs, W.
Deposit date:2015-06-11
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Analysis and Knock-Out of a Burkholderia Pseudomallei Homolog of the Eukaryotic Transcription Coactivator Pc4.
Gene, 557, 2016
2RDZ
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BU of 2rdz by Molmil
High Resolution Crystal Structure of the Escherichia coli Cytochrome c Nitrite Reductase.
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cytochrome c-552, ...
Authors:Clarke, T.A, Hemmings, A.M, RIchardson, D.J.
Deposit date:2007-09-25
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Role of a Conserved Glutamine Residue in Tuning the Catalytic Activity of Escherichia coli Cytochrome c Nitrite Reductase.
Biochemistry, 47, 2008
8TKL
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BU of 8tkl by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with a Test 16-mer kappaB-like DNA
Descriptor: Nuclear factor NF-kappa-B p50 subunit, Test 17-mer kappaB-like DNA
Authors:Mitchel, S, Mealka, M, Rogers, W.E, Milani, C, Acuna, L.M, Huxford, T.
Deposit date:2023-07-25
Release date:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
2RFM
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BU of 2rfm by Molmil
Structure of a Thermophilic Ankyrin Repeat Protein
Descriptor: 1,3-BUTANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Loew, C, Weininger, U, Neumann, P, Stubbs, M.T, Balbach, J.
Deposit date:2007-10-01
Release date:2008-03-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into an equilibrium folding intermediate of an archaeal ankyrin repeat protein
Proc.Natl.Acad.Sci.Usa, 105, 2008
2RG2
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BU of 2rg2 by Molmil
Crystal structure of variant R18L of conjugated bile acid hydrolase from Clostridium perfringens
Descriptor: 1,2-ETHANEDIOL, Choloylglycine hydrolase, GLYCEROL, ...
Authors:Rossmann, M, Saenger, W.
Deposit date:2007-10-02
Release date:2009-02-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of variants of conjugated bile acid hydrolase from Clostridium perfringens
To be Published
1MCJ
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BU of 1mcj by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: ACETYL GROUP, AMINO GROUP, D-PHENYLALANINE, ...
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
3DGS
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BU of 3dgs by Molmil
Changing the determinants of protein stability from covalent to non-covalent interactions by in-vitro evolution: a structural and energetic analysis
Descriptor: Coat protein A
Authors:Jakob, R.P, Kather, I, Dobbek, H, Schmid, F.X.
Deposit date:2008-06-16
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Changing the determinants of protein stability from covalent to non-covalent interactions by in vitro evolution: a structural and energetic analysis.
J.Mol.Biol., 381, 2008
7PXC
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BU of 7pxc by Molmil
Substrate-engaged mycobacterial Proteasome-associated ATPase in complex with open-gate 20S CP - composite map (state A)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Jomaa, A, Kavalchuk, M, Weber-Ban, E.
Deposit date:2021-10-08
Release date:2022-01-19
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Nat Commun, 13, 2022
3DHI
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BU of 3dhi by Molmil
Crystal Structure of Reduced Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, FE (III) ION, ...
Authors:Bailey, L.J, Mccoy, J.G, Phillips Jr, G.N, Fox, B.G.
Deposit date:2008-06-17
Release date:2008-12-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural consequences of effector protein complex formation in a diiron hydroxylase.
Proc.Natl.Acad.Sci.USA, 105, 2008
8TKM
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BU of 8tkm by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 17-mer kappaB DNA from human interleukin-6 (IL-6) promoter
Descriptor: 17-mer kappaB DNA, Nuclear factor NF-kappa-B p50 subunit
Authors:Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T.
Deposit date:2023-07-25
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023

223790

數據於2024-08-14公開中

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