3DSR
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![BU of 3dsr by Molmil](/molmil-images/mine/3dsr) | ADP in transition binding site in the subunit B of the energy converter A1Ao ATP synthase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase beta chain | Authors: | Kumar, A, Manimekalai, S.M.S, Balakrishna, A.M, Gruber, G. | Deposit date: | 2008-07-14 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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
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3UYI
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![BU of 3uyi by Molmil](/molmil-images/mine/3uyi) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | Perakine reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-06 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | 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
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3DT5
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![BU of 3dt5 by Molmil](/molmil-images/mine/3dt5) | C_terminal domain of protein of unknown function AF_0924 from Archaeoglobus fulgidus. | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Uncharacterized protein AF_0924 | Authors: | Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-07-14 | Release date: | 2008-07-29 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | X-ray crystal structure of C_terminal domain of protein of unknown function AF_0924 from Archaeoglobus fulgidus. To be Published
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2OSX
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![BU of 2osx by Molmil](/molmil-images/mine/2osx) | Endo-glycoceramidase II from Rhodococcus sp.: Ganglioside GM3 Complex | Descriptor: | Endoglycoceramidase II, GLYCEROL, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | Authors: | Caines, M.E.C, Strynadka, N.C.J. | Deposit date: | 2007-02-06 | Release date: | 2007-02-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | 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
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3SEN
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![BU of 3sen by Molmil](/molmil-images/mine/3sen) | Structure of Caskin1 Tandem SAMs | Descriptor: | Caskin-1, POTASSIUM ION | Authors: | Stafford, R.L, Bowie, J.U. | Deposit date: | 2011-06-10 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Tandem SAM domain structure of human Caskin1: a presynaptic, self-assembling scaffold for CASK. Structure, 19, 2011
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2OU9
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![BU of 2ou9 by Molmil](/molmil-images/mine/2ou9) | Structure of Spin-labeled T4 Lysozyme Mutant T115R1/R119A | Descriptor: | Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | Deposit date: | 2007-02-09 | Release date: | 2007-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 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
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3SFC
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![BU of 3sfc by Molmil](/molmil-images/mine/3sfc) | Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin Inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Renin, ... | Authors: | Scheiper, B, Matter, H, Steinhagen, H, Bocskei, Z, Fleury, V, McCort, G. | Deposit date: | 2011-06-13 | Release date: | 2011-08-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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2OV0
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![BU of 2ov0 by Molmil](/molmil-images/mine/2ov0) | Structure of the blue copper protein Amicyanin to 0.75 A resolution | Descriptor: | Amicyanin, COPPER (II) ION, PHOSPHATE ION, ... | Authors: | Carrell, C.J, Davidson, V.L, Chen, Z, Cunane, L.M, Trickey, P, Mathews, F.S. | Deposit date: | 2007-02-12 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.75 Å) | Cite: | Ultrahigh resolution studies of amicyanin TO BE PUBLISHED
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3SFZ
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![BU of 3sfz by Molmil](/molmil-images/mine/3sfz) | Crystal structure of full-length murine Apaf-1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Apoptotic peptidase activating factor 1, GAMMA-BUTYROLACTONE | Authors: | Eschenburg, S, Reubold, T.F. | Deposit date: | 2011-06-14 | Release date: | 2011-08-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of full-length Apaf-1: how the death signal is relayed in the mitochondrial pathway of apoptosis. Structure, 19, 2011
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2OSW
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![BU of 2osw by Molmil](/molmil-images/mine/2osw) | Endo-glycoceramidase II from Rhodococcus sp. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglycoceramidase II, SODIUM ION | Authors: | Caines, M.E.C, Strynadka, N.C.J. | Deposit date: | 2007-02-06 | Release date: | 2007-02-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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
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3DT4
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![BU of 3dt4 by Molmil](/molmil-images/mine/3dt4) | |
3SHM
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![BU of 3shm by Molmil](/molmil-images/mine/3shm) | |
3DX0
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![BU of 3dx0 by Molmil](/molmil-images/mine/3dx0) | Golgi alpha-Mannosidase II in complex with Mannostatin A at pH 5.75 | Descriptor: | (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, ... | Authors: | Kuntz, D.A, Rose, D.R. | Deposit date: | 2008-07-23 | Release date: | 2009-07-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A. Chembiochem, 10, 2009
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3DWS
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3SN0
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![BU of 3sn0 by Molmil](/molmil-images/mine/3sn0) | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and fumarate | Descriptor: | CHLORIDE ION, FUMARIC ACID, MAGNESIUM ION, ... | Authors: | 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) | Deposit date: | 2011-06-28 | Release date: | 2011-07-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and fumarate To be Published
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2Q2I
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![BU of 2q2i by Molmil](/molmil-images/mine/2q2i) | Crystal structure of the protein secretion chaperone CsaA from Agrobacterium tumefaciens. | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Secretion chaperone | Authors: | Feldman, A.R, Shapova, Y.A, Paetzel, M. | Deposit date: | 2007-05-28 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 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
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2PHB
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![BU of 2phb by Molmil](/molmil-images/mine/2phb) | An Orally Efficacious Factor Xa Inhibitor | Descriptor: | (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, ... | Authors: | Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C. | Deposit date: | 2007-04-10 | Release date: | 2008-03-25 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
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3DZ5
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![BU of 3dz5 by Molmil](/molmil-images/mine/3dz5) | Human AdoMetDC with covalently bound 5'-[(2-aminooxyethyl)methylamino]-5'-deoxy-8-methyladenosine | Descriptor: | 1,4-DIAMINOBUTANE, 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | 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
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3RY2
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![BU of 3ry2 by Molmil](/molmil-images/mine/3ry2) | Wild-type core streptavidin-biotin complex at atomic resolution | Descriptor: | BIOTIN, GLYCEROL, Streptavidin | Authors: | Stenkamp, R.E, Le Trong, I, Stayton, P.S, Lybrand, T.P. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Streptavidin and its biotin complex at atomic resolution. Acta Crystallogr.,Sect.D, 67, 2011
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3DGA
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![BU of 3dga by Molmil](/molmil-images/mine/3dga) | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide, ... | Authors: | Dasgupta, T, Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Nichols, S, Lyons, T.M, Tirado-Rives, J, Jorgensen, W.L, Yuthavong, Y, Anderson, K.S. | Deposit date: | 2008-06-13 | Release date: | 2009-01-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria. Acs Chem.Biol., 4, 2009
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3S02
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![BU of 3s02 by Molmil](/molmil-images/mine/3s02) | |
2PMQ
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![BU of 2pmq by Molmil](/molmil-images/mine/2pmq) | Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601 | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | Authors: | 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) | Deposit date: | 2007-04-23 | Release date: | 2007-05-08 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of new enzymes and metabolic pathways by using structure and genome context. Nature, 502, 2013
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2Q6S
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3S26
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![BU of 3s26 by Molmil](/molmil-images/mine/3s26) | Crystal Structure of Murine Siderocalin (Lipocalin 2, 24p3) | Descriptor: | 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 | Authors: | Correnti, C, Bandaranayake, A.D, Strong, R.K. | Deposit date: | 2011-05-16 | Release date: | 2011-09-28 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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3S2A
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![BU of 3s2a by Molmil](/molmil-images/mine/3s2a) | Crystal structure of PI3K-gamma in complex with a quinoline inhibitor | Descriptor: | 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 | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-05-16 | Release date: | 2011-06-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 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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