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3HD1
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BU of 3hd1 by Molmil
Crystal structure of E. coli HPPK(N10A) in complex with MgAMPCPP
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION, ...
Authors:Blaszczyk, J, Li, Y, Yan, H, Ji, X.
Deposit date:2009-05-06
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Role of loop coupling in enzymatic catalysis and conformational dynamics
To be Published
2RB2
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BU of 2rb2 by Molmil
3-methylbenzylazide in complex with T4 lysozyme L99A
Descriptor: 1-(azidomethyl)-3-methylbenzene, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-17
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.463 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
3U7C
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BU of 3u7c by Molmil
crystal structure of the V143I mutant of human carbonic anhydrase II
Descriptor: BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ...
Authors:West, D.M, Kim, C.U, Robbins, A.H, Mckenna, R.
Deposit date:2011-10-13
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:crystal structure of the V143I mutant of human carbonic anhydrase II
To be Published
2RBV
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BU of 2rbv by Molmil
Cytochrome C Peroxidase in complex with (1-methyl-1h-pyrrol-2-yl)-methylamine
Descriptor: 1-(1-methyl-1H-pyrrol-2-yl)methanamine, Cytochrome C Peroxidase, PHOSPHATE ION, ...
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
3HES
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BU of 3hes by Molmil
Human prion protein variant F198S with M129
Descriptor: CADMIUM ION, Major prion protein
Authors:Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C.
Deposit date:2009-05-10
Release date:2010-01-12
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
3TVZ
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BU of 3tvz by Molmil
Structure of Bacillus subtilis HmoB
Descriptor: Putative uncharacterized protein yhgC
Authors:Choe, J, Choi, S, Park, S.
Deposit date:2011-09-21
Release date:2012-07-11
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bacillus subtilis HmoB is a heme oxygenase with a novel structure.
Bmb Rep, 45, 2012
3HFE
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BU of 3hfe by Molmil
A trimeric form of the Kv7.1 A domain Tail
Descriptor: Potassium voltage-gated channel subfamily KQT member 1
Authors:Xu, Q, Minor, D.L.
Deposit date:2009-05-11
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a trimeric form of the K(V)7.1 (KCNQ1) A-domain tail coiled-coil reveals structural plasticity and context dependent changes in a putative coiled-coil trimerization motif.
Protein Sci., 18, 2009
3U9U
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BU of 3u9u by Molmil
Crystal Structure of Extracellular Domain of Human ErbB4/Her4 in complex with the Fab fragment of mAb1479
Descriptor: Fab Heavy Chain, Fab Light Chain, Receptor tyrosine-protein kinase erbB-4
Authors:Hollmen, M, Liu, P, Wildiers, H, Reinvall, I, Vandorpe, T, Smeets, A, Deraedt, K, Vahlberg, T, Joensuu, H, Leahy, D.J, Schoffski, P, Elenius, K.
Deposit date:2011-10-19
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Proteolytic processing of ErbB4 in breast cancer.
Plos One, 7, 2012
3UAV
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BU of 3uav by Molmil
Crystal structure of adenosine phosphorylase from Bacillus cereus
Descriptor: GLYCEROL, Purine nucleoside phosphorylase deoD-type, SULFATE ION
Authors:Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
Deposit date:2011-10-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
2RBR
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BU of 2rbr by Molmil
2-phenoxyethanol in complex with T4 lysozyme L99A/M102Q
Descriptor: 2-phenoxyethanol, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
3HG2
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BU of 3hg2 by Molmil
Human alpha-galactosidase catalytic mechanism 1. Empty active site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Alpha-galactosidase A, ...
Authors:Guce, A.I, Clark, N.E, Garman, S.C.
Deposit date:2009-05-13
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalytic mechanism of human alpha-galactosidase.
J.Biol.Chem., 285, 2010
3TZS
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BU of 3tzs by Molmil
Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea
Descriptor: 1,2-ETHANEDIOL, 1-phenylurea, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-27
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be published, 7
3U0I
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BU of 3u0i by Molmil
Crystal Structure of a probable FAD-binding, putative uncharacterized protein from Brucella melitensis
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, probable FAD-binding, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-28
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a probable FAD-binding, putative uncharacterized protein from Brucella melitensis
To be Published
3HIT
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BU of 3hit by Molmil
Crystal structure of Saporin-L1 in complex with the dinucleotide inhibitor, a transition state analogue
Descriptor: 5'-O-[(S)-{[(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(S)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-O-[(R)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-O-methylguanosine, Vacuolar saporin
Authors:Ho, M, Sturm, M.B, Almo, S.C, Schramm, V.L.
Deposit date:2009-05-20
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins.
Proc.Natl.Acad.Sci.USA, 106, 2009
2R5D
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BU of 2r5d by Molmil
Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HIV entry inhibitor PIE7, ...
Authors:VanDemark, A.P, Welch, B, Heroux, A, Hill, C.P, Kay, M.S.
Deposit date:2007-09-03
Release date:2007-10-02
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Potent D-peptide inhibitors of HIV-1 entry
Proc.Natl.Acad.Sci.Usa, 104, 2007
2RA0
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BU of 2ra0 by Molmil
X-ray Structure of FXa in complex with 7-fluoroindazole
Descriptor: 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide, Coagulation factor X
Authors:Abad, M.C.
Deposit date:2007-09-14
Release date:2008-01-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:7-fluoroindazoles as potent and selective inhibitors of factor xa.
J.Med.Chem., 51, 2008
3HE5
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BU of 3he5 by Molmil
Heterospecific coiled-coil pair SYNZIP2:SYNZIP1
Descriptor: SYNZIP1, SYNZIP2
Authors:Reinke, A.W, Grant, R.A, Keating, A.E.
Deposit date:2009-05-07
Release date:2010-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A synthetic coiled-coil interactome provides heterospecific modules for molecular engineering.
J.Am.Chem.Soc., 132, 2010
2RBS
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BU of 2rbs by Molmil
(r)(+)-3-chloro-1-phenyl-1-propanol in complex with T4 lysozyme L99A/M102Q
Descriptor: (1R)-3-chloro-1-phenylpropan-1-ol, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.557 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
3HGF
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BU of 3hgf by Molmil
Expression, purification, spectroscopical and crystallographical studies of segments of the nucleotide binding domain of the reticulocyte binding protein Py235 of Plasmodium yoelii
Descriptor: Rhoptry protein fragment
Authors:Gruber, A, Manimekalai, M.S.S, Balakrishna, A.M, Hunke, C, Jeyakanthan, J, Preiser, P.R, Gruber, G.
Deposit date:2009-05-13
Release date:2010-02-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural determination of functional units of the nucleotide binding domain (NBD94) of the reticulocyte binding protein Py235 of Plasmodium yoelii
Plos One, 5, 2010
3U64
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BU of 3u64 by Molmil
The Crystal Structure of Tat-T (Tp0956)
Descriptor: Protein TP_0956, SULFATE ION
Authors:Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2011-10-12
Release date:2012-02-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural, Bioinformatic, and In Vivo Analyses of Two Treponema pallidum Lipoproteins Reveal a Unique TRAP Transporter.
J.Mol.Biol., 416, 2012
2RD8
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BU of 2rd8 by Molmil
Human Thymidylate Synthase Stabilized in Active Conformation by R163K Mutation: Asymmetry and Reactivity of Cys195
Descriptor: BETA-MERCAPTOETHANOL, PHOSPHATE ION, Thymidylate synthase
Authors:Gibson, L.M, Lovelace, L.L, Lebioda, L.
Deposit date:2007-09-21
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The R163K Mutant of Human Thymidylate Synthase Is Stabilized in an Active Conformation: Structural Asymmetry and Reactivity of Cysteine 195.
Biochemistry, 47, 2008
3HHC
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BU of 3hhc by Molmil
Interferon-lambda is functionally an interferon but structurally related to the IL-10 family
Descriptor: IODIDE ION, Interleukin-28B
Authors:Gad, H.H, Hamming, O.J, Hartmann, R.
Deposit date:2009-05-15
Release date:2009-07-21
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Interferon-{lambda} Is Functionally an Interferon but Structurally Related to the Interleukin-10 Family
J.Biol.Chem., 284, 2009
2R50
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BU of 2r50 by Molmil
The crystal structure of nonsymbiotic corn hemoglobin 1
Descriptor: ACETIC ACID, Non-symbiotic hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Smagghe, B.J, Hoy, J.A, Hargrove, M.S.
Deposit date:2007-09-02
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of nonsymbiotic corn hemoglobin 1
To be Published
3U7H
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BU of 3u7h by Molmil
Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTTp)
Descriptor: Bifunctional polynucleotide phosphatase/kinase, DNA, GLYCEROL, ...
Authors:Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M.
Deposit date:2011-10-13
Release date:2011-12-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
2RAZ
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BU of 2raz by Molmil
4-(methylthio)nitrobenzene in complex with T4 lysozyme L99A
Descriptor: 1-(methylsulfanyl)-4-nitrobenzene, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-17
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008

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數據於2024-08-14公開中

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