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2P69
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Crystal Structure of Human Pyridoxal Phosphate Phosphatase with PLP
分子名称: CALCIUM ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate phosphatase
著者Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-16
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
6B9Q
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BU of 6b9q by Molmil
Single particle cryo-EM structure determination of the LuIII capsid protein
分子名称: Capsid protein VP2
著者Pittman, N.C, Agbandje-McKenna, M.
登録日2017-10-11
公開日2017-11-15
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Atomic Resolution Structure of the Oncolytic Parvovirus LuIII by Electron Microscopy and 3D Image Reconstruction.
Viruses, 9, 2017
4Y9W
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BU of 4y9w by Molmil
Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 0.82 A Resolution.
分子名称: Aspartic acid endopeptidase Sapp2, PEPTIDE
著者Dostal, J, Brynda, J, Hruskova-Heidingsfeldova, O, Rezacova, P, Mareckova, L, Pichova, I.
登録日2015-02-17
公開日2016-11-30
最終更新日2019-09-04
実験手法X-RAY DIFFRACTION (0.83 Å)
主引用文献Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis.
Acta Crystallogr.,Sect.D, 71, 2015
4YBM
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BU of 4ybm by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide (7b)
分子名称: GLYCEROL, N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide, SULFATE ION, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-18
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
6BF3
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BU of 6bf3 by Molmil
Solution structure of de novo macrocycle design7.3a
分子名称: QDP(DPR)K(2TL)(DAS)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2018-01-10
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
4YBS
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BU of 4ybs by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7g)
分子名称: DIMETHYL SULFOXIDE, N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-19
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
6BE7
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BU of 6be7 by Molmil
Solution structure of de novo macrocycle Design8.1
分子名称: DDPT(DPR)(DAR)Q(DGN)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-24
公開日2018-01-03
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEN
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BU of 6ben by Molmil
Solution structure of de novo macrocycle design8.2
分子名称: (DAR)Q(DPR)(DGN)R(DGL)PQ
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
4YCK
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BU of 4yck by Molmil
Endothiapepsin in complex with fragment 211
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4YEL
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BU of 4yel by Molmil
Tailspike protein double mutant D339A/E372A of E. coli bacteriophage HK620 in complex with hexasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-02-24
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
2PCE
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BU of 2pce by Molmil
Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM
分子名称: PHOSPHATE ION, putative mandelate racemase/muconate lactonizing enzyme
著者Bonanno, J.B, Rutter, M, Bain, K.T, Lau, C, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-29
公開日2007-04-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM
To be Published
2OLE
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BU of 2ole by Molmil
Crystal Structure Of Human Dipeptidyl Peptidase IV (DPPIV) Complex With Cyclic Hydrazine Derivatives
分子名称: (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE, Dipeptidyl peptidase 4
著者Kim, S.S, Ahn, J.H, Lee, J.O.
登録日2007-01-19
公開日2008-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis, biological evaluation and structural determination of beta-aminoacyl-containing cyclic hydrazine derivatives as dipeptidyl peptidase IV (DPP-IV) inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
6B2S
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BU of 6b2s by Molmil
Crystal structure of Xanthomonas campestris OleA H285N
分子名称: 3-oxoacyl-[ACP] synthase III, GLYCEROL, PHOSPHATE ION
著者Jensen, M.R, Goblirsch, B.R, Esler, M.A, Christenson, J.K, Mohamed, F.A, Wackett, L.P, Wilmot, C.M.
登録日2017-09-20
公開日2018-02-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The role of OleA His285 in orchestration of long-chain acyl-coenzyme A substrates.
FEBS Lett., 592, 2018
2PF4
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BU of 2pf4 by Molmil
Crystal structure of the full-length simian virus 40 small t antigen complexed with the protein phosphatase 2A Aalpha subunit
分子名称: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, Small T antigen, ZINC ION
著者Cho, U, Morrone, S, Xu, W.
登録日2007-04-03
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis of PP2A inhibition by small t antigen.
Plos Biol., 5, 2007
4YHW
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BU of 4yhw by Molmil
Yeast Prp3 (296-469) in complex with fragment of U4/U6 di-snRNA
分子名称: U4 snRNA fragment, U4/U6 small nuclear ribonucleoprotein PRP3, U6 snRNA fragment
著者Liu, S, Wahl, M.C.
登録日2015-02-27
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献A composite double-/single-stranded RNA-binding region in protein Prp3 supports tri-snRNP stability and splicing.
Elife, 4, 2015
2OQX
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BU of 2oqx by Molmil
Crystal Structure of the apo form of E. coli tryptophanase at 1.9 A resolution
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Goldgur, Y, Kogan, A, Gdalevsky, G, Parola, A, Cohen-Luria, R, Almog, O.
登録日2007-02-01
公開日2007-02-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of apo tryptophanase from Escherichia coli reveals a wide-open conformation.
Acta Crystallogr.,Sect.D, 63, 2007
6BES
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BU of 6bes by Molmil
Solution structure of de novo macrocycle design11_ss
分子名称: (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
4YHU
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BU of 4yhu by Molmil
Yeast Prp3 C-terminal fragment 296-469
分子名称: U4/U6 small nuclear ribonucleoprotein PRP3, YTTRIUM (III) ION
著者Liu, S, Wahl, M.C.
登録日2015-02-27
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A composite double-/single-stranded RNA-binding region in protein Prp3 supports tri-snRNP stability and splicing.
Elife, 4, 2015
4YIK
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BU of 4yik by Molmil
Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU
分子名称: 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ...
著者Pachl, P, Rezacova, P, Brynda, J.
登録日2015-03-02
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.483 Å)
主引用文献Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor
Medchemcomm, 6, 2015
5T9A
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BU of 5t9a by Molmil
Crystal structure of BuGH2Cwt
分子名称: 1,2-ETHANEDIOL, Glycoside Hydrolase, SULFATE ION
著者Pluvinage, B, Boraston, A.B, Abbott, W.D.
登録日2016-09-09
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
4YJK
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Crystal structure of C212S mutant of Shewanella oneidensis MR-1 uridine phosphorylase
分子名称: SULFATE ION, URACIL, Uridine phosphorylase
著者Safonova, T.N, Mordkovich, N.N, Manuvera, V.A, Dorovatovsky, P.V, Veiko, V.P, Popov, V.O, Polyakov, K.M.
登録日2015-03-03
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Concerted action of two subunits of the functional dimer of Shewanella oneidensis MR-1 uridine phosphorylase derived from a comparison of the C212S mutant and the wild-type enzyme.
Acta Crystallogr D Struct Biol, 72, 2016
5TBY
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BU of 5tby by Molmil
HUMAN BETA CARDIAC HEAVY MEROMYOSIN INTERACTING-HEADS MOTIF OBTAINED BY HOMOLOGY MODELING (USING SWISS-MODEL) OF HUMAN SEQUENCE FROM APHONOPELMA HOMOLOGY MODEL (PDB-3JBH), RIGIDLY FITTED TO HUMAN BETA-CARDIAC NEGATIVELY STAINED THICK FILAMENT 3D-RECONSTRUCTION (EMD-2240)
分子名称: Myosin light chain 3, Myosin regulatory light chain 2, ventricular/cardiac muscle isoform, ...
著者ALAMO, L, WARE, J.S, PINTO, A, GILLILAN, R.E, SEIDMAN, J.G, SEIDMAN, C.E, PADRON, R.
登録日2016-09-13
公開日2017-06-07
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (20 Å)
主引用文献Effects of myosin variants on interacting-heads motif explain distinct hypertrophic and dilated cardiomyopathy phenotypes.
Elife, 6, 2017
2OPW
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BU of 2opw by Molmil
Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo)
分子名称: PHYHD1 protein
著者Zhang, Z, Butler, D, McDonough, M.A, Kavanagh, K.L, Bray, J.E, Ng, S.S, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-01-30
公開日2007-03-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo)
To be Published
2OT4
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Structure of a hexameric multiheme c nitrite reductase from the extremophile bacterium Thiolkalivibrio nitratireducens
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O.
登録日2007-02-07
公開日2008-04-08
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution structural analysis of a novel octaheme cytochrome c nitrite reductase from the haloalkaliphilic bacterium Thioalkalivibrio nitratireducens.
J.Mol.Biol., 389, 2009
2OWI
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Solution structure of the RGS domain from human RGS18
分子名称: Regulator of G-protein signaling 18
著者Higman, V.A, Leidert, M, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G, Yang, X, Brockmann, C, Schmieder, P, Diehl, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC)
登録日2007-02-16
公開日2007-02-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008

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