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6KH1
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BU of 6kh1 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Whang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
4DMB
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BU of 4dmb by Molmil
X-ray structure of human hepatitus C virus NS5A-transactivated protein 2 at the resolution 1.9A, Northeast Structural Genomics Consortium (NESG) Target HR6723
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, HD domain-containing protein 2, ...
著者Kuzin, A, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP)
登録日2012-02-07
公開日2012-04-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Northeast Structural Genomics Consortium Target HR6723
To be Published
1PNQ
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BU of 1pnq by Molmil
Crystal structure of R. rubrum transhydrogenase domain III bound to NADPH
分子名称: NAD(P) transhydrogenase subunit beta, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sundaresan, V, Yamaguchi, M, Chartron, J, Stout, C.D.
登録日2003-06-12
公開日2003-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational Change in the NADP(H) Binding Domain of Transhydrogenase Defines Four States
Biochemistry, 42, 2003
3M4H
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BU of 3m4h by Molmil
Human Aldose Reductase mutant T113V complexed with IDD388
分子名称: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ...
著者Koch, C, Heine, A, Klebe, G.
登録日2010-03-11
公開日2010-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
1PO3
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BU of 1po3 by Molmil
Crystal structure of ferric citrate transporter FecA in complex with ferric citrate
分子名称: CITRATE ANION, FE (III) ION, Iron(III) dicitrate transport protein fecA precursor
著者Yue, W.W, Grizot, S, Buchanan, S.K.
登録日2003-06-13
公開日2003-11-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural evidence for iron-free citrate and ferric citrate binding to the TonB-dependent outer membrane transporter FecA
J.Mol.Biol., 332, 2003
3M5S
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BU of 3m5s by Molmil
Carbonic Anhydrase II mutant H64C in complex with carbonate
分子名称: CARBONATE ION, Carbonic anhydrase 2, ZINC ION
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-13
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mutational study on Carbonic Anhydrase II
TO BE PUBLISHED
3UNO
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BU of 3uno by Molmil
Mycobacterium tuberculosis ferritin homolog, BfrB
分子名称: Probable bacterioferritin BfrB
著者McMath, L.M, Contreras, H, Goulding, C.W, TB Structural Genomics Consortium (TBSGC)
登録日2011-11-16
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Mycobacterium tuberculosis ferritin homolog, BfrB
To be Published
3M67
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BU of 3m67 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
分子名称: 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-15
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3IVB
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BU of 3ivb by Molmil
Structures of SPOP-Substrate Complexes: Insights into Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATH-MacroH2ASBCpep1
分子名称: CHLORIDE ION, Core histone macro-H2A.1, Speckle-type POZ protein, ...
著者Schulman, B.A, Miller, D.J, Calabrese, M.F, Seyedin, S.
登録日2009-08-31
公開日2009-10-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure 9
To be Published
3IWN
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BU of 3iwn by Molmil
Co-crystal structure of a bacterial c-di-GMP riboswitch
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), C-di-GMP riboswitch, U1 small nuclear ribonucleoprotein A
著者Kulshina, N, Baird, N.J, Ferre-D'Amare, A.R.
登録日2009-09-02
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Recognition of the bacterial second messenger cyclic diguanylate by its cognate riboswitch.
Nat.Struct.Mol.Biol., 16, 2009
3UQR
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BU of 3uqr by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2011-11-21
公開日2012-11-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.056 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4KLS
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BU of 4kls by Molmil
DNA polymerase beta mismatched reactant complex with Mn2+, 10 min
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*A)-3', ...
著者Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H.
登録日2013-05-07
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
2GZP
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BU of 2gzp by Molmil
Solution NMR structure of Q8ZP25 from Salmonella typhimurium LT2; Northeast Structural Genomics Consortium Target STR70
分子名称: putative chaperone
著者Parish, D, Liu, G, Shen, Y, Ho, C, Cunningham, K, Xiao, R, Swapna, G.V.T, Acton, T.B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2006-05-11
公開日2006-06-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of Q8ZP24 from Salmonella typhimurium LT2.
To be Published
1Z6O
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BU of 1z6o by Molmil
Crystal Structure of Trichoplusia ni secreted ferritin
分子名称: CALCIUM ION, FE (III) ION, Ferritin heavy chain, ...
著者Hamburger, A.E, West Jr, A.P, Hamburger, Z.A, Hamburger, P, Bjorkman, P.J.
登録日2005-03-22
公開日2005-05-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of a secreted insect ferritin reveals a symmetrical arrangement of heavy and light chains.
J.Mol.Biol., 349, 2005
3QT0
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BU of 3qt0 by Molmil
Revealing a steroid receptor ligand as a unique PPARgamma agonist
分子名称: 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, Nuclear receptor coactivator 1 peptide, Peroxisome proliferator-activated receptor gamma
著者Rong, H.
登録日2011-02-22
公開日2012-02-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Revealing a steroid receptor ligand as a unique PPAR gamma agonist.
Cell Res., 22, 2012
3ZVH
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BU of 3zvh by Molmil
Methylaspartate ammonia lyase from Clostridium tetanomorphum mutant Q73A
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Raj, H, Szymanski, W, de Villiers, J, Rozeboom, H.J, Veetil, V.P, Reis, C.R, de Villiers, M, de Wildeman, S, Dekker, F.J, Quax, W.J, Thunnissen, A.M.W.H, Feringa, B.L, Janssen, D.B, Poelarends, G.J.
登録日2011-07-25
公開日2012-05-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Engineering Methylaspartate Ammonia Lyase for the Asymmetric Synthesis of Unnatural Amino Acids.
Nat.Chem., 4, 2012
1BW4
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BU of 1bw4 by Molmil
THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF BARWIN, A PROTEIN FROM BARLEY SEED
分子名称: BARWIN, BASIC BARLEY SEED PROTEIN
著者Poulsen, F.M.
登録日1992-07-06
公開日1993-10-31
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Three-dimensional structure in solution of barwin, a protein from barley seed.
Biochemistry, 31, 1992
4KGH
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BU of 4kgh by Molmil
Crystal Structure of human splunc1 lacking the secretion signal sequence
分子名称: AMMONIUM ION, BPI fold-containing family A member 1, GLYCEROL, ...
著者Betts, L, Walton, W.G.
登録日2013-04-29
公開日2013-09-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.806 Å)
主引用文献Molecular basis for pH-dependent mucosal dehydration in cystic fibrosis airways.
Proc.Natl.Acad.Sci.USA, 110, 2013
1BY3
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BU of 1by3 by Molmil
FHUA FROM E. COLI
分子名称: N-OCTYL-2-HYDROXYETHYL SULFOXIDE, PROTEIN (FERRICHROME-IRON RECEPTOR PRECURSOR (FHUA))
著者Locher, K.P, Rees, B, Koebnik, R, Mitschler, A, Moulinier, L, Rosenbusch, J.P, Moras, D.
登録日1998-10-22
公開日1999-01-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Transmembrane signaling across the ligand-gated FhuA receptor: crystal structures of free and ferrichrome-bound states reveal allosteric changes.
Cell(Cambridge,Mass.), 95, 1998
1Q48
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BU of 1q48 by Molmil
Solution NMR Structure of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. This protein is not apo, it is a model without zinc binding constraints.
分子名称: NifU-like protein
著者Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2003-08-01
公開日2003-11-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site.
J.Mol.Biol., 344, 2004
3UXO
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BU of 3uxo by Molmil
Crystal Structure of Rat DNA Polymerase Beta Mutator I260Q Apoenzyme
分子名称: DNA polymerase beta
著者Gridley, C.L, Jaeger, J.
登録日2011-12-05
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Changes in the Hydrophobic Hinge Region Adversely Affect the Activity and Fidelity of the I260Q Mutator DNA Polymerase beta.
Biochemistry, 52, 2013
2H60
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BU of 2h60 by Molmil
Solution Structure of Human Brg1 Bromodomain
分子名称: Probable global transcription activator SNF2L4
著者Shen, W, Xu, C, Zhang, J, Wu, J, Shi, Y.
登録日2006-05-30
公開日2007-02-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of human Brg1 bromodomain and its specific binding to acetylated histone tails
Biochemistry, 46, 2007
3UZX
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BU of 3uzx by Molmil
Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and epiandrosterone
分子名称: (3Beta,5alpha)-3-Hydroxyandrostan-17-one, 3-oxo-5-beta-steroid 4-dehydrogenase, 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL, ...
著者Chen, M, Christianson, D.W, Penning, T.M.
登録日2011-12-07
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.637 Å)
主引用文献Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING.
J.Biol.Chem., 287, 2012
6WM0
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TASK2 in MSP1D1 lipid nanodisc at pH 8.5
分子名称: POTASSIUM ION, Potassium channel TASK2
著者Li, B, Brohawn, S.G.
登録日2020-04-20
公開日2020-07-15
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural basis for pH gating of the two-pore domain K + channel TASK2.
Nature, 586, 2020
2GZY
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solution structures of the reduced form of thioredoxin from Bacillus subtilis
分子名称: Thioredoxin
著者Xu, H, Zhang, X, Chen, J, Jin, C.
登録日2006-05-12
公開日2007-02-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Conformational fluctuations coupled to the thiol-disulfide transfer between thioredoxin and arsenate reductase in Bacillus subtilis.
J.Biol.Chem., 282, 2007

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