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3SNC
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BU of 3snc by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-NSTSQ-H (soaking)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, Peptide aldehyde inhibitor Ac-NSTSQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
1H5S
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BU of 1h5s by Molmil
Thymidylyltransferase complexed with TMP
Descriptor: Glucose-1-phosphate thymidylyltransferase 1, THYMIDINE-5'-PHOSPHATE
Authors:Rosano, C, Zuccotti, S, Bolognesi, M.
Deposit date:2001-05-25
Release date:2001-11-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Kinetic and crystallographic analyses support a sequential-ordered bi bi catalytic mechanism for Escherichia coli glucose-1-phosphate thymidylyltransferase.
J. Mol. Biol., 313, 2001
8PK8
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BU of 8pk8 by Molmil
Structure of the human mitochondrial iron-sulfur cluster biosynthesis complex during persulfide transfer (persulfide on ISCU2)
Descriptor: Acyl carrier protein, Cysteine desulfurase, FE (II) ION, ...
Authors:Steinhilper, R, Murphy, B.J.
Deposit date:2023-06-26
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Mechanism and structural dynamics of sulfur transfer during de novo [2Fe-2S] cluster assembly on ISCU2.
Nat Commun, 15, 2024
1GQW
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BU of 1gqw by Molmil
Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli
Descriptor: 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ...
Authors:Elkins, J.M, Ryle, M.J, Clifton, I.J, Dunning-Hotopp, J.C, Lloyd, J.S, Burzlaff, N.I, Baldwin, J.E, Hausinger, R.P, Roach, P.L.
Deposit date:2001-12-05
Release date:2002-04-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates
Biochemistry, 41, 2002
8PK9
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BU of 8pk9 by Molmil
Structure of the human mitochondrial iron-sulfur cluster biosynthesis complex during persulfide transfer (persulfide on NFS1 and ISCU2)
Descriptor: Acyl carrier protein, Cysteine desulfurase, FE (II) ION, ...
Authors:Steinhilper, R, Murphy, B.J.
Deposit date:2023-06-26
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Mechanism and structural dynamics of sulfur transfer during de novo [2Fe-2S] cluster assembly on ISCU2.
Nat Commun, 15, 2024
3SPI
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BU of 3spi by Molmil
Inward rectifier potassium channel Kir2.2 in complex with PIP2
Descriptor: Inward-rectifier K+ channel Kir2.2, POTASSIUM ION, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Hansen, S.B, Tao, X, MacKinnon, R.
Deposit date:2011-07-01
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.307 Å)
Cite:Structural basis of PIP(2) activation of the classical inward rectifier K(+) channel Kir2.2.
Nature, 477, 2011
1H5T
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BU of 1h5t by Molmil
Thymidylyltransferase complexed with Thymidylyldiphosphate-glucose
Descriptor: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, Glucose-1-phosphate thymidylyltransferase 1, SULFATE ION, ...
Authors:Rosano, C, Zuccotti, S, Bolognesi, M.
Deposit date:2001-05-25
Release date:2001-11-23
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and Crystallographic Analyses Support a Sequential-Ordered Bi Bi Catalytic Mechanism for Escherichia Coli Glucose-1-Phosphate Thymidylyltransferase
J.Mol.Biol., 313, 2001
3T1B
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BU of 3t1b by Molmil
Crystal structure of the full-length AphB N100E variant
Descriptor: Transcriptional regulator, LysR family
Authors:Taylor, J.L, De Silva, R.S, Kovacikova, G, Lin, W, Taylor, R.K, Skorupski, K, Kull, F.J.
Deposit date:2011-07-21
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of AphB, a virulence gene activator from Vibrio cholerae, reveals residues that influence its response to oxygen and pH.
Mol.Microbiol., 83, 2012
3I3A
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BU of 3i3a by Molmil
Structural Basis for the Sugar Nucleotide and Acyl Chain Selectivity of Leptospira interrogans LpxA
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, S-[2-({N-[(2R)-2-hydroxy-4-{[(S)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxydodecanethioate
Authors:Williams, A.H.
Deposit date:2009-06-30
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for the sugar nucleotide and acyl-chain selectivity of Leptospira interrogans LpxA.
Biochemistry, 48, 2009
3I59
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BU of 3i59 by Molmil
Crystal structure of MtbCRP in complex with N6-cAMP
Descriptor: (2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, (2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, CHLORIDE ION, ...
Authors:Reddy, M.C, Palaninathan, S.K, Bruning, J.B, Thurman, C, Smith, D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2009-07-03
Release date:2009-09-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Insights into the Mechanism of the Allosteric Transitions of Mycobacterium tuberculosis cAMP Receptor Protein.
J.Biol.Chem., 284, 2009
4MDT
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BU of 4mdt by Molmil
Structure of LpxC bound to the reaction product UDP-(3-O-(R-3-hydroxymyristoyl))-glucosamine
Descriptor: PHOSPHATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, ...
Authors:Clayton, G.M, Klein, D.J, Rickert, K.W, Patel, S.B, Kornienko, M, Zugay-Murphy, J, Reid, J.C, Tummala, S, Sharma, S, Singh, S.B, Miesel, L, Lumb, K.J, Soisson, S.M.
Deposit date:2013-08-23
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure of the Bacterial Deacetylase LpxC Bound to the Nucleotide Reaction Product Reveals Mechanisms of Oxyanion Stabilization and Proton Transfer.
J.Biol.Chem., 288, 2013
6C5U
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BU of 6c5u by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Ribostamycin, Alternate form
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2018-01-16
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
7WI1
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BU of 7wi1 by Molmil
The mutant variant of PNGM-1, H93 was substituuted for alanine to study metal coordination
Descriptor: Metallo-beta-lactamase PNGM-1, ZINC ION
Authors:Park, Y.S, Kang, L.W, Lee, J.H.
Deposit date:2022-01-01
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural Study of Metal Binding and Coordination in Ancient Metallo-beta-Lactamase PNGM-1 Variants.
Int J Mol Sci, 21, 2020
6EJI
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BU of 6eji by Molmil
Structure of a glycosyltransferase
Descriptor: CHLORIDE ION, GLYCEROL, POTASSIUM ION, ...
Authors:Ramirez, A.S, Boilevin, J, Mehdipour, A.R, Hummer, G, Darbre, T, Reymond, J.L, Locher, K.P.
Deposit date:2017-09-21
Release date:2018-02-07
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase.
Nat Commun, 9, 2018
3SPH
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BU of 3sph by Molmil
Inward rectifier potassium channel Kir2.2 I223L mutant in complex with PIP2
Descriptor: Inward-rectifier K+ channel Kir2.2, POTASSIUM ION, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Hansen, S.B, Tao, X, MacKinnon, R.
Deposit date:2011-07-01
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Structural basis of PIP(2) activation of the classical inward rectifier K(+) channel Kir2.2.
Nature, 477, 2011
3SZP
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BU of 3szp by Molmil
Full-length structure of the Vibrio cholerae virulence activator, AphB, a member of the LTTR protein family
Descriptor: Transcriptional regulator, LysR family
Authors:Taylor, J.L, De Silva, R.S, Kovacikova, G, Lin, W, Taylor, R.K, Skorupski, K, Kull, F.J.
Deposit date:2011-07-19
Release date:2011-11-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:The crystal structure of AphB, a virulence gene activator from Vibrio cholerae, reveals residues that influence its response to oxygen and pH.
Mol.Microbiol., 83, 2012
3SPC
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BU of 3spc by Molmil
Inward rectifier potassium channel Kir2.2 in complex with dioctanoylglycerol pyrophosphate (DGPP)
Descriptor: (2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate, Inward-rectifier K+ channel Kir2.2, POTASSIUM ION
Authors:Hansen, S.B, Tao, X, MacKinnon, R.
Deposit date:2011-07-01
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.454 Å)
Cite:Structural basis of PIP(2) activation of the classical inward rectifier K(+) channel Kir2.2.
Nature, 477, 2011
2HF0
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BU of 2hf0 by Molmil
Bifidobacterium longum bile salt hydrolase
Descriptor: Bile salt hydrolase
Authors:Suresh, C.G, Kumar, R.S, Brannigan, J.A.
Deposit date:2006-06-22
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Analysis of a Conjugated Bile Salt Hydrolase from Bifidobacterium longum Reveals an Evolutionary Relationship with Penicillin V Acylase.
J.Biol.Chem., 281, 2006
6D9A
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BU of 6d9a by Molmil
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-GalNAc (open, reduced)
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Wangkanont, K, Kiessling, L.L, Forest, K.T.
Deposit date:2018-04-28
Release date:2019-05-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
7XML
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BU of 7xml by Molmil
Cryo-EM structure of PEIP-Bs_enolase complex
Descriptor: Enolase, MAGNESIUM ION, Putative gene 60 protein
Authors:Li, S, Zhang, K.
Deposit date:2022-04-26
Release date:2022-07-27
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Bacteriophage protein PEIP is a potent Bacillus subtilis enolase inhibitor.
Cell Rep, 40, 2022
7XQ3
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BU of 7xq3 by Molmil
Crystal structure of the tetramer of thioredoxin domain containing-protein of Oncomelania hupensis(OhTRP14)
Descriptor: Thioredoxin domain-containing protein 17
Authors:Wang, S.Q, Huang, S.Q.
Deposit date:2022-05-06
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural insights into the redox regulation of Oncomelania hupensis TRP14 and its potential role in the snail host response to parasite invasion.
Fish Shellfish Immunol., 128, 2022
6D99
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BU of 6d99 by Molmil
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-GalNAc (open, oxidized)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Wangkanont, K, Kiessling, L.L, Forest, K.T.
Deposit date:2018-04-28
Release date:2019-05-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
3TFC
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BU of 3tfc by Molmil
1.95 Angstrom crystal structure of a bifunctional 3-deoxy-7-phosphoheptulonate synthase/chorismate mutase (aroA) from Listeria monocytogenes EGD-e in complex with phosphoenolpyruvate
Descriptor: 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Light, S.H, Minasov, G, Halavaty, A.S, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-08-15
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of a 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with an N-terminal chorismate mutase-like regulatory domain.
Protein Sci., 21, 2012
3U85
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BU of 3u85 by Molmil
Crystal structure of human menin in complex with MLL1
Descriptor: Histone-lysine N-methyltransferase 2A, Menin
Authors:Huang, J, Wan, B, Lei, M.
Deposit date:2011-10-15
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:The same pocket in menin binds both MLL and JUND but has opposite effects on transcription.
Nature, 482, 2012
3V1M
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BU of 3v1m by Molmil
Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, after exposure to its substrate HOPDA
Descriptor: (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION
Authors:Ghosh, S, Bolin, J.T.
Deposit date:2011-12-09
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012

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數據於2024-07-17公開中

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