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1GPF
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BU of 1gpf by Molmil
CHITINASE B FROM SERRATIA MARCESCENS IN COMPLEX WITH INHIBITOR PSAMMAPLIN
Descriptor: CHITINASE B, SULFATE ION
Authors:Komander, D, Van Aalten, D.M.
Deposit date:2001-11-03
Release date:2002-10-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Psammaplin A, a Chitinase Inhibitor Isolated from the Fijian Marine Sponge Aplysinella Rhax
Bioorg.Med.Chem., 10, 2002
3KVU
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BU of 3kvu by Molmil
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - T42S mutant in complex with Acetyl-CoA
Descriptor: ACETYL COENZYME *A, Fluoroacetyl-CoA thioesterase FlK
Authors:Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
Deposit date:2009-11-30
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
3KW6
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BU of 3kw6 by Molmil
Crystal Structure of a domain of 26S proteasome regulatory subunit 8 from homo sapiens. Northeast Structural Genomics Consortium target id HR3102A
Descriptor: 26S protease regulatory subunit 8
Authors:Seetharaman, J, Su, M, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-11-30
Release date:2009-12-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of a domain of 26S proteasome regulatory subunit 8 from homo sapiens. Northeast Structural Genomics Consortium target id HR3102A
To be Published
4AJD
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BU of 4ajd by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
Descriptor: 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
Authors:Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S.
Deposit date:2012-02-16
Release date:2013-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
2OLX
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BU of 2olx by Molmil
Structure of NNQQ Peptide from Yeast Prion SUP35
Descriptor: NNQQ peptide derived from Yeast Prion Sup35
Authors:Nelson, R, Sawaya, M.R, Eisenberg, D.
Deposit date:2007-01-19
Release date:2007-01-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Atomic structures of amyloid cross-beta spines reveal varied steric zippers.
Nature, 447, 2007
3G9Q
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BU of 3g9q by Molmil
Crystal structure of the FhuD fold-family BSU3320, a periplasmic binding protein component of a Fep/Fec-like ferrichrome ABC transporter from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR577A
Descriptor: Ferrichrome-binding protein
Authors:Forouhar, F, Neely, H, Seetharaman, J, Janjua, H, Mao, L, Xiao, R, Ciccosanti, C, Foote, E.L, Lee, D, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-02-13
Release date:2009-03-03
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the FhuD fold-family BSU3320, a periplasmic binding protein component of a Fep/Fec-like ferrichrome ABC transporter from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR577A.
To be Published
3KP8
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BU of 3kp8 by Molmil
The thioredoxin-like domain of a VKOR homolog from Synechococcus sp.
Descriptor: VKORC1/thioredoxin domain protein
Authors:Li, W, Schulman, S, Dutton, R.J, Boyd, D, Beckwith, J, Rapoport, T.A.
Deposit date:2009-11-15
Release date:2010-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure of a bacterial homologue of vitamin K epoxide reductase.
Nature, 463, 2010
4A37
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BU of 4a37 by Molmil
Metallo-carboxypeptidase from Pseudomonas Aeruginosa
Descriptor: METALLO-CARBOXYPEPTIDASE, ZINC ION
Authors:Otero, A, Rodriguez de la Vega, M, Tanco, S.M, Lorenzo, J, Aviles, F.X, Reverter, D.
Deposit date:2011-09-30
Release date:2012-05-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Novel Structure of a Cytosolic M14 Metallocarboxypeptidase (Ccp) from Pseudomonas Aeruginosa: A Model for Mammalian Ccps.
Faseb J., 26, 2012
3KPE
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BU of 3kpe by Molmil
Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV
Descriptor: 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL
Authors:Roymans, D, De Bondt, H, Arnoult, E, Cummings, M.D, Van Vlijmen, H, Andries, K.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KPL
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BU of 3kpl by Molmil
Crystal Structure of HLA B*4402 in complex with EEYLQAFTY a self peptide from the ABCD3 protein
Descriptor: Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPS
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BU of 3kps by Molmil
Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLQAFTY a self peptide from the ABCD3 protein
Descriptor: Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
2PL2
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BU of 2pl2 by Molmil
Crystal structure of TTC0263: a thermophilic TPR protein in Thermus thermophilus HB27
Descriptor: Hypothetical conserved protein TTC0263
Authors:Lim, H, Kim, K, Han, D, Oh, J.
Deposit date:2007-04-18
Release date:2008-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of TTC0263, a thermophilic TPR protein from Thermus thermophilus HB27.
Mol.Cell, 24, 2007
2PLF
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BU of 2plf by Molmil
The structure of aIF2gamma subunit from the archaeon Sulfolobus solfataricus in the nucleotide-free form.
Descriptor: Translation initiation factor 2 gamma subunit
Authors:Nikonov, O.S, Stolboushkina, E.A, Nikulin, A.D, Hasenohrl, D, Blaesi, U, Manstein, D.J, Fedorov, R.V, Garber, M.B, Nikonov, S.V.
Deposit date:2007-04-19
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:New Insights into the Interactions of the Translation Initiation Factor 2 from Archaea with Guanine Nucleotides and Initiator tRNA.
J.Mol.Biol., 373, 2007
3KFQ
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BU of 3kfq by Molmil
Unreduced cathepsin V in complex with stefin A
Descriptor: Cathepsin L2, Cystatin-A
Authors:Renko, M, Turk, D.
Deposit date:2009-10-27
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Unreduced cathepsin V in complex with stefin A
To be Published
3KRD
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BU of 3krd by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with Fellutamide B
Descriptor: (3R)-3-HYDROXYDODECANOIC ACID, Fellutamide B, Proteasome subunit alpha, ...
Authors:Li, D, Li, H.
Deposit date:2009-11-18
Release date:2010-09-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fellutamide B is a potent inhibitor of the Mycobacterium tuberculosis proteasome.
Arch.Biochem.Biophys., 501, 2010
2PSB
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BU of 2psb by Molmil
Crystal structure of YerB protein from Bacillus subtilis. NorthEast Structural Genomics target SR586
Descriptor: YerB protein
Authors:Seetharaman, J, Chen, Y, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-05-04
Release date:2007-05-15
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of YerB protein from Bacillus subtilis.
To be Published
3KPC
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BU of 3kpc by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
Authors:Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A.
Deposit date:2009-11-16
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
3WPP
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BU of 3wpp by Molmil
Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1iii)
Descriptor: CHLORIDE ION, Trimeric autotransporter adhesin
Authors:Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
Deposit date:2014-01-15
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
1G14
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BU of 1g14 by Molmil
NMR SOLUTION STRUCTURE OF THE DNA DODECAMER GGCAAGAAACGG
Descriptor: 5'-D(*CP*CP*GP*TP*TP*TP*CP*TP*TP*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*AP*GP*AP*AP*AP*CP*GP*G)-3'
Authors:MacDonald, D, Herbert, K, Zhang, X, Pologruto, T, Lu, P.
Deposit date:2000-10-10
Release date:2001-03-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of an A-tract DNA bend.
J.Mol.Biol., 306, 2001
3FZZ
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BU of 3fzz by Molmil
Structure of GrC
Descriptor: Granzyme C, SULFATE ION
Authors:Buckle, A.M, Kaiserman, D, Whisstock, J.C.
Deposit date:2009-01-27
Release date:2009-03-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of granzyme C reveals an unusual mechanism of protease autoinhibition
Proc.Natl.Acad.Sci.USA, 106, 2009
2Q1F
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BU of 2q1f by Molmil
Crystal structure of chondroitin sulfate lyase abc from bacteroides thetaiotaomicron wal2926
Descriptor: CALCIUM ION, Chondroitinase, PHOSPHATE ION
Authors:Shaya, D, Cygler, M.
Deposit date:2007-05-24
Release date:2008-01-29
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Composite active site of chondroitin lyase ABC accepting both epimers of uronic acid.
Glycobiology, 18, 2008
1G51
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BU of 1g51 by Molmil
ASPARTYL TRNA SYNTHETASE FROM THERMUS THERMOPHILUS AT 2.4 A RESOLUTION
Descriptor: ADENOSINE MONOPHOSPHATE, ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE, ASPARTYL-TRNA SYNTHETASE, ...
Authors:Poterzsman, A, Delarue, M, Thierry, J.C, Moras, D.
Deposit date:2000-10-30
Release date:2000-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and recognition of aspartyl-adenylate by Thermus thermophilus aspartyl-tRNA synthetase.
J.Mol.Biol., 244, 1994
2Q5R
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BU of 2q5r by Molmil
Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase
Descriptor: Tagatose-6-phosphate kinase
Authors:McGrath, T.E, Soloveychik, M, Romanov, V, Thambipillai, D, Dharamsi, A, Virag, C, Domagala, M, Pai, E.F, Edwards, A.M, Battaile, K, Chirgadze, N.Y.
Deposit date:2007-06-01
Release date:2007-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase
TO BE PUBLISHED
3KVE
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BU of 3kve by Molmil
Structure of native L-amino acid oxidase from Vipera ammodytes ammodytes: stabilization of the quaternary structure by divalent ions and structural changes in the dynamic active site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid oxidase, ...
Authors:Gergiova, D, Murakami, M.T, Perbandt, M, Arni, R.K, Betzel, C.
Deposit date:2009-11-30
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structure of native L-amino acid oxidase from Vipera ammodytes ammodytes: stabilization of the quaternary structure by divalent ions and structural changes in the dynamic active site
To be Published
3KX3
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BU of 3kx3 by Molmil
Crystal structure of Bacillus megaterium BM3 heme domain mutant L86E
Descriptor: Bifunctional P-450/NADPH-P450 reductase, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W.
Deposit date:2009-12-02
Release date:2010-05-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3.
Biochem.J., 427, 2010

224004

數據於2024-08-21公開中

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