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3OUF
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BU of 3ouf by Molmil
Structure of a K+ selective NaK mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein
Authors:Derebe, M.G, Sauer, D.B, Zeng, W, Alam, A, Shi, N, Jiang, Y.
Deposit date:2010-09-14
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Tuning the ion selectivity of tetrameric cation channels by changing the number of ion binding sites.
Proc.Natl.Acad.Sci.USA, 108, 2011
2P6B
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BU of 2p6b by Molmil
Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide
Descriptor: CALCIUM ION, Calcineurin subunit B isoform 1, Calmodulin-dependent calcineurin A subunit alpha isoform, ...
Authors:Li, H, Zhang, L, Rao, A, Harrison, S.C, Hogan, P.G.
Deposit date:2007-03-16
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction
J.Mol.Biol., 369, 2007
3OTO
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BU of 3oto by Molmil
Crystal Structure of the 30S ribosomal subunit from a KsgA mutant of Thermus thermophilus (HB8)
Descriptor: 16S rRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Demirci, H, Murphy IV, F, Belardinelli, R, Kelley, A.C, Ramakrishnan, V, Gregory, S.T, Dahlberg, A.E, Jogl, G.
Deposit date:2010-09-13
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.69 Å)
Cite:Modification of 16S ribosomal RNA by the KsgA methyltransferase restructures the 30S subunit to optimize ribosome function.
Rna, 16, 2010
5RVS
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BU of 5rvs by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004
Descriptor: 5-phenylpyridine-3-carboxylic acid, Non-structural protein 3
Authors:Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-10-02
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
2P70
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BU of 2p70 by Molmil
Bombyx mori pheromone binding protein bound to bell pepper odorant
Descriptor: 2-ISOBUTYL-3-METHOXYPYRAZINE, pheromone-binding protein
Authors:Lautenschlager, C.L, Clardy, J.
Deposit date:2007-03-19
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bombyx mori pheromone-binding protein binding nonpheromone ligands: implications for pheromone recognition.
Structure, 15, 2007
4NDN
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BU of 4ndn by Molmil
Structural insights of MAT enzymes: MATa2b complexed with SAM and PPNP
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L.
Deposit date:2013-10-27
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure and function study of the complex that synthesizes S-adenosylmethionine.
IUCrJ, 1, 2014
3OY0
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BU of 3oy0 by Molmil
Human Carbonic Anhydrase II complexed with 1-(4-(4-(2-(ISOPROPYLSULFONYL)PHENYLAMINO)-1H-PYRROLO[2,3-B]PYRIDIN-6-YLAMINO)-3-METHOXYPHENYL)PIPERIDIN-4-OL
Descriptor: (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Aggarwal, M, McKenna, R.
Deposit date:2010-09-22
Release date:2011-08-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV.
J.Med.Chem., 54, 2011
4NHV
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BU of 4nhv by Molmil
Crystal structure of B. anthracis DHPS with interfacial compound 4: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine
Descriptor: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine, Dihydropteroate synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-05
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
3OX2
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BU of 3ox2 by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
Descriptor: 2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Pegan, S.D, Sturdy, M, Mesecar, A.D.
Deposit date:2010-09-21
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
4K3S
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BU of 4k3s by Molmil
E. coli sliding clamp in P1 crystal space group
Descriptor: CALCIUM ION, DNA polymerase III subunit beta, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2013-04-11
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
4NIL
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BU of 4nil by Molmil
Crystal structure of B. anthracis DHPS with compound 5: 4-[(trifluoromethyl)sulfanyl]benzamide
Descriptor: 4-[(trifluoromethyl)sulfanyl]benzamide, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-06
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4K95
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BU of 4k95 by Molmil
Crystal Structure of Parkin
Descriptor: E3 ubiquitin-protein ligase parkin, ZINC ION
Authors:Seirafi, M, Menade, M, Sauve, V, Kozlov, G, Trempe, J.-F, Nagar, B, Gehring, K.
Deposit date:2013-04-19
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (6.499 Å)
Cite:Structure of parkin reveals mechanisms for ubiquitin ligase activation.
Science, 340, 2013
2QQW
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BU of 2qqw by Molmil
Crystal structure of a cell-wall invertase (D23A) from Arabidopsis thaliana in complex with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, ...
Authors:Lammens, W, Le Roy, K, Van Laere, A, Rabijns, A, Van den Ende, W.
Deposit date:2007-07-27
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of Arabidopsis thaliana cell-wall invertase mutants in complex with sucrose.
J.Mol.Biol., 377, 2008
3P0S
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BU of 3p0s by Molmil
Crystal structure of Bombyx mori densovirus 1 capsid
Descriptor: Capsid protein VP
Authors:Kaufmann, B, Rossmann, M.G.
Deposit date:2010-09-29
Release date:2011-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of Bombyx mori densovirus 1, a silkworm pathogen.
J.Virol., 85, 2011
4K69
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BU of 4k69 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid
Descriptor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
2D1E
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BU of 2d1e by Molmil
Crystal structure of PcyA-biliverdin complex
Descriptor: BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION
Authors:Hagiwara, Y, Sugishima, M, Takahashi, Y, Fukuyama, K.
Deposit date:2005-08-17
Release date:2006-01-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin IXalpha, a key enzyme in the biosynthesis of phycocyanobilin
Proc.Natl.Acad.Sci.Usa, 103, 2006
4NMC
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BU of 4nmc by Molmil
Crystal structure of oxidized proline utilization A (PutA) from Geobacter sulfurreducens PCA complexed with Zwittergent 3-12
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE, ...
Authors:Singh, H, Tanner, J.J.
Deposit date:2013-11-14
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site.
Proc.Natl.Acad.Sci.USA, 111, 2014
2QU1
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BU of 2qu1 by Molmil
Crystal Structure of a Cyclized GFP Variant
Descriptor: CALCIUM ION, Green fluorescent protein
Authors:Bailey, L.J, McCoy, J.G, Bitto, E, Bingman, C.A, Fox, B.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-08-03
Release date:2007-09-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a Cyclized GFP Variant.
To be Published
3P1J
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BU of 3p1j by Molmil
Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state
Descriptor: GTPase IMAP family member 2, UNKNOWN ATOM OR ION
Authors:Shen, L, Tempel, W, Tong, Y, Guan, X, Nedyalkova, L, Wernimont, A.K, Mackenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Andrews, D.W, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-09-30
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state
to be published
2QXS
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BU of 2qxs by Molmil
Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene
Descriptor: Estrogen receptor, RALOXIFENE
Authors:Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
Deposit date:2007-08-12
Release date:2008-09-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
4KGD
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BU of 4kgd by Molmil
High-resolution crystal structure of pyruvate oxidase from L. plantarum in complex with phosphate
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Neumann, P, Tittmann, K.
Deposit date:2013-04-29
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Observation of a stable carbene at the active site of a thiamin enzyme.
Nat.Chem.Biol., 9, 2013
5RSI
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BU of 5rsi by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000374420934
Descriptor: 4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
2Q9X
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BU of 2q9x by Molmil
Crystal structure of highly stable mutant Q40P/S47I/H93G of human fibroblast growth factor-1
Descriptor: GLYCEROL, Heparin-binding growth factor 1
Authors:Szlachcic, A, Zakrzewska, M, Krowarsch, D, Os, V, Helland, R, Otlewski, J.
Deposit date:2007-06-14
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of highly stable mutant Q40P/S47I/H93G of human fibroblast growth factor-1
To be Published
4NIR
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BU of 4nir by Molmil
Crystal structure of B. anthracis DHPS with compound 6: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
Descriptor: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-06
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
2QUZ
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BU of 2quz by Molmil
Crystal Structure of the activating H-RasK117R mutant in Costello Syndrome, bound to Mg-GDP
Descriptor: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Parret, A, Scheffzek, K.
Deposit date:2007-08-07
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Mutation analysis in Costello syndrome: functional and structural characterization of the HRAS p.Lys117Arg mutation.
Hum.Mutat., 29, 2008

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数据于2024-07-17公开中

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