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3DSR
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BU of 3dsr by Molmil
ADP in transition binding site in the subunit B of the energy converter A1Ao ATP synthase
分子名称: ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase beta chain
著者Kumar, A, Manimekalai, S.M.S, Balakrishna, A.M, Gruber, G.
登録日2008-07-14
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the nucleotide-binding subunit B of the energy producer A1A0 ATP synthase in complex with adenosine diphosphate
Acta Crystallogr.,Sect.D, 64, 2008
3UYI
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BU of 3uyi by Molmil
Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding
分子名称: Perakine reductase
著者Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
登録日2011-12-06
公開日2012-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding.
J.Biol.Chem., 287, 2012
3DT5
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BU of 3dt5 by Molmil
C_terminal domain of protein of unknown function AF_0924 from Archaeoglobus fulgidus.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Uncharacterized protein AF_0924
著者Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-07-14
公開日2008-07-29
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献X-ray crystal structure of C_terminal domain of protein of unknown function AF_0924 from Archaeoglobus fulgidus.
To be Published
2OSX
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BU of 2osx by Molmil
Endo-glycoceramidase II from Rhodococcus sp.: Ganglioside GM3 Complex
分子名称: Endoglycoceramidase II, GLYCEROL, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ...
著者Caines, M.E.C, Strynadka, N.C.J.
登録日2007-02-06
公開日2007-02-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural and Mechanistic Analyses of endo-Glycoceramidase II, a Membrane-associated Family 5 Glycosidase in the Apo and GM3 Ganglioside-bound Forms.
J.Biol.Chem., 282, 2007
3SEN
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BU of 3sen by Molmil
Structure of Caskin1 Tandem SAMs
分子名称: Caskin-1, POTASSIUM ION
著者Stafford, R.L, Bowie, J.U.
登録日2011-06-10
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Tandem SAM domain structure of human Caskin1: a presynaptic, self-assembling scaffold for CASK.
Structure, 19, 2011
2OU9
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BU of 2ou9 by Molmil
Structure of Spin-labeled T4 Lysozyme Mutant T115R1/R119A
分子名称: Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L.
登録日2007-02-09
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
3SFC
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BU of 3sfc by Molmil
Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin Inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Renin, ...
著者Scheiper, B, Matter, H, Steinhagen, H, Bocskei, Z, Fleury, V, McCort, G.
登録日2011-06-13
公開日2011-08-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
2OV0
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BU of 2ov0 by Molmil
Structure of the blue copper protein Amicyanin to 0.75 A resolution
分子名称: Amicyanin, COPPER (II) ION, PHOSPHATE ION, ...
著者Carrell, C.J, Davidson, V.L, Chen, Z, Cunane, L.M, Trickey, P, Mathews, F.S.
登録日2007-02-12
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.75 Å)
主引用文献Ultrahigh resolution studies of amicyanin
TO BE PUBLISHED
3SFZ
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BU of 3sfz by Molmil
Crystal structure of full-length murine Apaf-1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Apoptotic peptidase activating factor 1, GAMMA-BUTYROLACTONE
著者Eschenburg, S, Reubold, T.F.
登録日2011-06-14
公開日2011-08-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of full-length Apaf-1: how the death signal is relayed in the mitochondrial pathway of apoptosis.
Structure, 19, 2011
2OSW
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BU of 2osw by Molmil
Endo-glycoceramidase II from Rhodococcus sp.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglycoceramidase II, SODIUM ION
著者Caines, M.E.C, Strynadka, N.C.J.
登録日2007-02-06
公開日2007-02-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Mechanistic Analyses of endo-Glycoceramidase II, a Membrane-associated Family 5 Glycosidase in the Apo and GM3 Ganglioside-bound Forms.
J.Biol.Chem., 282, 2007
3DT4
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BU of 3dt4 by Molmil
The structure of rat cytosolic PEPCK in complex with oxalate and GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, OXALATE ION, ...
著者Sullivan, S.M, Holyoak, T.
登録日2008-07-14
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3SHM
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BU of 3shm by Molmil
Structure-function Analysis of Receptor Binding in Adeno-Associated Virus Serotype 6 (AAV-6)
分子名称: Capsid protein VP1
著者Xie, Q, Lerch, T.F, Meyer, N.L, Chapman, M.S.
登録日2011-06-16
公開日2011-10-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.019 Å)
主引用文献Structure-function analysis of receptor-binding in adeno-associated virus serotype 6 (AAV-6).
Virology, 420, 2011
3DX0
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BU of 3dx0 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin A at pH 5.75
分子名称: (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2008-07-23
公開日2009-07-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DWS
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BU of 3dws by Molmil
Leishmania major Coproporphyrinogen III Oxidase with bound ligand
分子名称: 5-fluoroindole-2-carboxylic acid, ACETATE ION, Coproporphyrinogen III oxidase
著者Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2008-07-22
公開日2008-09-09
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Leishmania major Coproporphyrinogen III Oxidase with bound ligand
To be Published
3SN0
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BU of 3sn0 by Molmil
Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and fumarate
分子名称: CHLORIDE ION, FUMARIC ACID, MAGNESIUM ION, ...
著者Bonanno, J.B, Patskovsky, Y, Toro, R, Dickey, M, Bain, K.T, Wu, B, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2011-06-28
公開日2011-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and fumarate
To be Published
2Q2I
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BU of 2q2i by Molmil
Crystal structure of the protein secretion chaperone CsaA from Agrobacterium tumefaciens.
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Secretion chaperone
著者Feldman, A.R, Shapova, Y.A, Paetzel, M.
登録日2007-05-28
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Phage display and crystallographic analysis reveals potential substrate/binding site interactions in the protein secretion chaperone CsaA from Agrobacterium tumefaciens.
J.Mol.Biol., 379, 2008
2PHB
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BU of 2phb by Molmil
An Orally Efficacious Factor Xa Inhibitor
分子名称: (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, Coagulation factor X, ...
著者Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C.
登録日2007-04-10
公開日2008-03-25
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The discovery of (2R,4R)-N-(4-chlorophenyl)-N- (2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (PD 0348292), an orally efficacious factor Xa inhibitor
Chem.Biol.Drug Des., 70, 2007
3DZ5
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BU of 3dz5 by Molmil
Human AdoMetDC with covalently bound 5'-[(2-aminooxyethyl)methylamino]-5'-deoxy-8-methyladenosine
分子名称: 1,4-DIAMINOBUTANE, 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ...
著者Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E.
登録日2008-07-29
公開日2009-03-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
3RY2
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BU of 3ry2 by Molmil
Wild-type core streptavidin-biotin complex at atomic resolution
分子名称: BIOTIN, GLYCEROL, Streptavidin
著者Stenkamp, R.E, Le Trong, I, Stayton, P.S, Lybrand, T.P.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Streptavidin and its biotin complex at atomic resolution.
Acta Crystallogr.,Sect.D, 67, 2011
3DGA
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BU of 3dga by Molmil
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide, ...
著者Dasgupta, T, Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Nichols, S, Lyons, T.M, Tirado-Rives, J, Jorgensen, W.L, Yuthavong, Y, Anderson, K.S.
登録日2008-06-13
公開日2009-01-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria.
Acs Chem.Biol., 4, 2009
3S02
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BU of 3s02 by Molmil
The crystal structure of the periplasmic domain of Helicobacter pylori MotB (residues 103-256)
分子名称: Motility protein B
著者Roujeinikova, A.R.
登録日2011-05-12
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Role of the MotB linker in the assembly and activation of the bacterial flagellar motor.
Acta Crystallogr.,Sect.D, 67, 2011
2PMQ
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BU of 2pmq by Molmil
Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
著者Bonanno, J.B, Rutter, M, Bain, K.T, Lau, C, Sridhar, V, 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2007-04-23
公開日2007-05-08
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of new enzymes and metabolic pathways by using structure and genome context.
Nature, 502, 2013
2Q6S
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BU of 2q6s by Molmil
2.4 angstrom crystal structure of PPAR gamma complexed to BVT.13 without co-activator peptides
分子名称: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
3S26
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BU of 3s26 by Molmil
Crystal Structure of Murine Siderocalin (Lipocalin 2, 24p3)
分子名称: Neutrophil gelatinase-associated lipocalin, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Correnti, C, Bandaranayake, A.D, Strong, R.K.
登録日2011-05-16
公開日2011-09-28
最終更新日2021-03-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Daedalus: a robust, turnkey platform for rapid production of decigram quantities of active recombinant proteins in human cell lines using novel lentiviral vectors.
Nucleic Acids Res., 39, 2011
3S2A
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BU of 3s2a by Molmil
Crystal structure of PI3K-gamma in complex with a quinoline inhibitor
分子名称: N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-05-16
公開日2011-06-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives.
J.Med.Chem., 54, 2011

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