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4UGF
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BU of 4ugf by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl) pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ...
著者Holden, J.K, Poulos, T.L.
登録日2015-03-22
公開日2015-06-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4CXU
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BU of 4cxu by Molmil
G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with 3-Br-Phenolphenylphosphonate
分子名称: 3-bromophenyl hydrogen (S)-phenylphosphonate, ARYLSULFATASE, CALCIUM ION
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-08
公開日2015-04-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4D3V
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BU of 4d3v by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
分子名称: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D0L
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BU of 4d0l by Molmil
Phosphatidylinositol 4-kinase III beta-PIK93 in a complex with Rab11a- GTP gammaS
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, ...
著者Burke, J.E, Inglis, A.J, Perisic, O, Masson, G.R, McLaughin, S.H, Rutaganira, F, Shokat, K.M, Williams, R.L.
登録日2014-04-29
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structures of Pi4Kiiibeta Complexes Show Simultaneous Recruitment of Rab11 and its Effectors.
Science, 344, 2014
4D6C
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BU of 4d6c by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98)(L19 mutant)
分子名称: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE
著者Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
登録日2014-11-11
公開日2014-11-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
4D3M
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BU of 4d3m by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(2-(4-methyl-6-(methylamino)pyridin-2-yl)ethyl)benzonitrile
分子名称: 3-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-5-{2-[4-METHYL-6-(METHYLAMINO)PYRIDIN-2-YL]ETHYL}BENZONITRILE, CHLORIDE ION, GLYCEROL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.741 Å)
主引用文献Structure-based design of bacterial nitric oxide synthase inhibitors.
J. Med. Chem., 58, 2015
4CSV
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BU of 4csv by Molmil
Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, SRC-ABL TYROSINE KINASE ANCESTOR
著者Kutter, S, Wilson, C, Cruz, L, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Kern, D.
登録日2014-03-10
公開日2015-03-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
4CZ2
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BU of 4cz2 by Molmil
Complex of human VARP-ANKRD1 with Rab32-GppCp. Selenomet derivative.
分子名称: ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
著者Perez-Dorado, I, Schaefer, I.B, McCoy, A.J, Owen, D.J, Evans, P.R.
登録日2014-04-16
公開日2014-06-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Varp is Recruited on to Endosomes by Direct Interaction with Retromer, Where Together They Function in Export to the Cell Surface.
Dev.Cell, 29, 2014
4CZ9
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BU of 4cz9 by Molmil
Structure of the sodium proton antiporter PaNhaP from Pyrococcus abyssii at pH 4.
分子名称: NA+/H+ ANTIPORTER, PUTATIVE, octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside
著者Woehlert, D, Kuhlbrandt, W, Yildiz, O.
登録日2014-04-16
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure and substrate ion binding in the sodium/proton antiporter PaNhaP.
Elife, 3, 2014
4D0C
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BU of 4d0c by Molmil
COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE
分子名称: 1,2-ETHANEDIOL, 10MER PEPTIDE, BETA-2-MICROGLOBULIN, ...
著者Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M.
登録日2014-04-25
公開日2015-05-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
4D03
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BU of 4d03 by Molmil
Structure of the Cys65Asp mutant of phenylacetone monooxygenase: oxidised state
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Brondani, P.B, Dudek, H.M, Martinoli, C, Mattevi, A, Fraaije, M.W.
登録日2014-04-24
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Finding the Switch: Turning a Baeyer-Villiger Monooxygenase Into a Nadph Oxidase.
J.Am.Chem.Soc., 136, 2014
4D2N
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BU of 4d2n by Molmil
Crystal structure of deglycosylated serum-derived human IgG4 Fc
分子名称: GLYCEROL, IG GAMMA-4 CHAIN C REGION
著者Davies, A.M, Jefferis, R, Sutton, B.J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of Deglycosylated Human Igg4-Fc
Mol.Immunol., 62, 2014
4D3J
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BU of 4d3j by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
分子名称: 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-22
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
8HWO
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BU of 8hwo by Molmil
Crystal Structure of mutant GDSL Esterase of Photobacterium sp. J15
分子名称: GDSL-family esterase
著者Rahman, N.N.A, Leow, T.C, Jonet, M.A.
登録日2023-01-01
公開日2024-01-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献X-ray crystallography of mutant GDSL esterase S12A of Photobacterium marinum J15.
3 Biotech, 13, 2023
4D7U
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BU of 4d7u by Molmil
The structure of the catalytic domain of NcLPMO9C from the filamentous fungus Neurospora crassa
分子名称: COPPER (II) ION, ENDOGLUCANASE II, GLYCEROL
著者Borisova, A.S, Isaksen, T, Mathiesen, G, Sorlie, M, Sandgren, M, Eijsink, V.G.H, Dimarogona, M.
登録日2014-11-27
公開日2015-07-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural and Functional Characterization of a Lytic Polysaccharide Monooxygenase with Broad Substrate Specificity
J.Biol.Chem., 290, 2015
4CNS
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BU of 4cns by Molmil
Crystal structure of truncated human CRMP-4
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ponnusamy, R, Lohkamp, B.
登録日2014-01-24
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Human Crmp-4: Correction of Intensities for Lattice-Translocation Disorder
Acta Crystallogr.,Sect.D, 70, 2014
4CRH
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BU of 4crh by Molmil
Crystal structure of the BTB-T1 domain of human SHKBP1
分子名称: SH3KBP1-BINDING PROTEIN 1
著者Pinkas, D.M, Solcan, N, Krojer, T, Goubin, S, Williams, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2014-02-26
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
4CVA
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BU of 4cva by Molmil
MPS1 kinase with 3-aminopyridin-2-one inhibitors
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ...
著者Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K.
登録日2014-03-24
公開日2015-04-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition
To be Published
4CVZ
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BU of 4cvz by Molmil
COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE
分子名称: 1,2-ETHANEDIOL, BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B21, ...
著者Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M.
登録日2014-03-31
公開日2015-05-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
4CXA
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BU of 4cxa by Molmil
Crystal structure of the human CDK12-cyclin K complex bound to AMPPNP
分子名称: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Nowak, R, Goubin, S, Mahajan, R.P, Kopec, J, Froese, S, Tallant, C, Carpenter, E.P, Mackenzie, A, Faust, B, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Bullock, A.
登録日2014-04-04
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
4CYM
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BU of 4cym by Molmil
Complex of human VARP-ANKRD1 with Rab32-GppCp
分子名称: ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
著者Perez-Dorado, I, Schaefer, I.B, McCoy, A.J, Owen, D.J, Evans, P.R.
登録日2014-04-13
公開日2014-06-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Varp is Recruited on to Endosomes by Direct Interaction with Retromer, Where Together They Function in Export to the Cell Surface.
Dev.Cell, 29, 2014
4CXN
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Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form I
分子名称: INSULIN A CHAIN, INSULIN B CHAIN
著者Kosinova, L, Veverka, V, Novotna, P, Collinsova, M, Urbanova, M, Jiracek, J, Moody, N.R, Turkenburg, J.P, Brzozowski, A.M, Zakova, L.
登録日2014-04-07
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Insight Into Structural and Biological Relevance of the T/R Transition of the B-Chain N-Terminus in Human Insulin.
Biochemistry, 53, 2014
4D1Y
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BU of 4d1y by Molmil
Crystal structure of a putative protease from Bacteroides thetaiotaomicron.
分子名称: PUTATIVE PROTEASE I, RIBOFLAVIN, ZINC ION
著者Knaus, T, Uhl, M.K, Monschein, S, Moratti, S, Gruber, K, Macheroux, P.
登録日2014-05-05
公開日2014-10-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Stability of an Unusual Zinc-Binding Protein from Bacteroides Thetaiotaomicron.
Biochim.Biophys.Acta, 1844, 2014
4CKN
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Structure of an N-terminal fragment of Leishmania SAS-6 containing parts of its coiled coil domain, F257E mutant
分子名称: SAS-6
著者van Breugel, M.
登録日2014-01-07
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the SAS-6 cartwheel hub from Leishmania major.
Elife, 3, 2014
4D3K
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Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
分子名称: 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-22
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.017 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015

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