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3SF0
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BU of 3sf0 by Molmil
Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D64N complexed with 5'AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
Authors:Singh, H.
Deposit date:2011-06-12
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural basis of the inhibition of class C acid phosphatases by adenosine 5'-phosphorothioate.
Febs J., 278, 2011
3RTH
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BU of 3rth by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 6-(2-(3,3-Dimethylbut-1-ynyl)phenyl)quinolin-2-amine
Descriptor: 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine, Beta-secretase 1, IODIDE ION
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3DRE
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BU of 3dre by Molmil
Crystal structure of Human Brain-type Creatine Kinase
Descriptor: Creatine kinase B-type
Authors:Moon, J.H, Bong, S.M, Hwang, K.Y, Chi, Y.M.
Deposit date:2008-07-11
Release date:2009-03-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural studies of human brain-type creatine kinase complexed with the ADP-Mg2+-NO3- -creatine transition-state analogue complex
Febs Lett., 582, 2008
3WPP
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BU of 3wpp by Molmil
Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1iii)
Descriptor: CHLORIDE ION, Trimeric autotransporter adhesin
Authors:Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
Deposit date:2014-01-15
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
3DZT
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BU of 3dzt by Molmil
AeD7-leukotriene E4 complex
Descriptor: (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Andersen, J.F, Calvo, E, Mans, B.J, Ribeiro, J.M.
Deposit date:2008-07-30
Release date:2009-02-03
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein
Proc.Natl.Acad.Sci.USA, 106, 2009
3WQA
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BU of 3wqa by Molmil
Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1ii)
Descriptor: CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ...
Authors:Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
Deposit date:2014-01-24
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
3R41
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BU of 3r41 by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/apo
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-17
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3DTU
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BU of 3dtu by Molmil
Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides complexed with deoxycholic acid
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, CADMIUM ION, CALCIUM ION, ...
Authors:Qin, L, Mills, D.A, Buhrow, L, Hiser, C, Ferguson-Miller, S.
Deposit date:2008-07-15
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A conserved steroid binding site in cytochrome C oxidase.
Biochemistry, 47, 2008
3DHQ
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BU of 3dhq by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS A90R at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Harms, M.J, Schlessman, J.L, Garcia-Moreno, E.B.
Deposit date:2008-06-18
Release date:2009-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Arginine residues at internal positions in a protein are always charged.
Proc.Natl.Acad.Sci.USA, 108, 2011
3DIC
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BU of 3dic by Molmil
Crystal structure of bovine pancreatic ribonuclease A variant (V108A)
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
Authors:Kurpiewska, K, Font, J, Ribo, M, Vilanova, M, Lewinski, K.
Deposit date:2008-06-20
Release date:2008-07-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic studies of RNase A variants engineered at the most destabilizing positions of the main hydrophobic core: further insight into protein stability
Proteins, 77, 2009
3DWV
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BU of 3dwv by Molmil
Glutathione peroxidase-type tryparedoxin peroxidase, oxidized form
Descriptor: Glutathione peroxidase-like protein
Authors:Tews, I, Sinning, I, Krauth-Siegel, L.
Deposit date:2008-07-23
Release date:2008-08-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural basis for a distinct catalytic mechanism in Trypanosoma brucei tryparedoxin peroxidase.
J.Biol.Chem., 283, 2008
3WVA
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BU of 3wva by Molmil
SeMet-labelled HcgF from Methanocaldococcus jannaschii
Descriptor: UPF0254 protein MJ1251
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2014-05-16
Release date:2015-04-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
3DYE
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BU of 3dye by Molmil
Crystal structure of AED7-norepineprhine complex
Descriptor: BROMIDE ION, D7 protein, GLYCEROL, ...
Authors:Andersen, J.F, Calvo, E, Mans, B.J, Ribeiro, J.M.
Deposit date:2008-07-27
Release date:2009-02-03
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein
Proc.Natl.Acad.Sci.USA, 106, 2009
3DK9
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BU of 3dk9 by Molmil
Catalytic cycle of human glutathione reductase near 1 A resolution
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, SULFATE ION
Authors:Berkholz, D.S, Faber, H.R, Savvides, S.N, Karplus, P.A.
Deposit date:2008-06-24
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Catalytic cycle of human glutathione reductase near 1 A resolution.
J.Mol.Biol., 382, 2008
3WBJ
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BU of 3wbj by Molmil
Crystal structure analysis of eukaryotic translation initiation factor 5B structure II
Descriptor: Eukaryotic translation initiation factor 5B
Authors:Zheng, A, Yamamoto, R, Ose, T, Yu, J, Tanaka, I, Yao, M.
Deposit date:2013-05-20
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:X-ray structures of eIF5B and the eIF5B-eIF1A complex: the conformational flexibility of eIF5B is restricted on the ribosome by interaction with eIF1A
Acta Crystallogr.,Sect.D, 70, 2014
3WC2
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BU of 3wc2 by Molmil
Crystal structure of C. albicans tRNA(His) guanylyltransferase (Thg1) with a tRNA(Phe)(GUG)
Descriptor: 76mer-tRNA, Likely histidyl tRNA-specific guanylyltransferase
Authors:Nakamura, A, Nemoto, T, Sonoda, T, Yamashita, K, Tanaka, I, Yao, M.
Deposit date:2013-05-24
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.641 Å)
Cite:Structural basis of reverse nucleotide polymerization
Proc.Natl.Acad.Sci.USA, 110, 2013
3DKV
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BU of 3dkv by Molmil
Crystal structure of adenylate kinase variant AKlse1
Descriptor: 1,2-ETHANEDIOL, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ...
Authors:Bannen, R.M, Bianchetti, C.M, Bingman, C.A, Bitto, E.B.
Deposit date:2008-06-26
Release date:2009-06-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of adenylate kinase variant AKlse1.
To be Published
3WD9
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BU of 3wd9 by Molmil
Crystal structure of phosphodiesterase 4B in complex with compound 10f
Descriptor: 4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide, CALCIUM ION, ZINC ION, ...
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2013-06-11
Release date:2013-10-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis and biological evaluation of 5-carbamoyl-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors
Bioorg.Med.Chem., 21, 2013
3R2O
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BU of 3r2o by Molmil
1.95 A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 6.0)
Descriptor: Bacterioferritin, SODIUM ION, SULFATE ION
Authors:Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M.
Deposit date:2011-03-14
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
3WEN
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BU of 3wen by Molmil
Sugar beet alpha-glucosidase with acarviosyl-maltopentaose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, ...
Authors:Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A.
Deposit date:2013-07-09
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate
J.Biol.Chem., 290, 2014
3R4B
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BU of 3r4b by Molmil
Crystal Structure of Wild-type HIV-1 Protease in Complex With TMC310911
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate, HIV-1 protease, PHOSPHATE ION
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2011-03-17
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:TMC310911, a Novel Human Immunodeficiency Virus Type 1 Protease Inhibitor, Shows In Vitro an Improved Resistance Profile and Higher Genetic Barrier to Resistance Compared with Current Protease Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
3DLQ
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BU of 3dlq by Molmil
Crystal structure of the IL-22/IL-22R1 complex
Descriptor: Interleukin-22, Interleukin-22 receptor subunit alpha-1
Authors:Bleicher, L, de Moura, P.R, Watanabe, L, Colau, D, Dumoutier, L, Renauld, J.-C, Polikarpov, I.
Deposit date:2008-06-28
Release date:2008-08-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the IL-22/IL-22R1 complex and its implications for the IL-22 signaling mechanism
Febs Lett., 582, 2008
3DON
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BU of 3don by Molmil
Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis
Descriptor: GLYCEROL, Shikimate dehydrogenase
Authors:Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H.
Deposit date:2008-07-05
Release date:2009-05-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis
Febs J., 276, 2009
3DMM
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BU of 3dmm by Molmil
Crystal structure of the CD8 alpha beta/H-2Dd complex
Descriptor: Beta-2 microglobulin, H-2 class I histocompatibility antigen, D-D alpha chain, ...
Authors:Wang, R, Natarajan, K, Margulies, D.H.
Deposit date:2008-07-01
Release date:2009-07-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of the CD8alphabeta/MHC class i interaction: focused recognition orients CD8beta to a T cell proximal position.
J.Immunol., 183, 2009
3WMF
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BU of 3wmf by Molmil
Crystal structure of an inward-facing eukaryotic ABC multitrug transporter G277V/A278V/A279V mutant
Descriptor: ATP-binding cassette, sub-family B, member 1, ...
Authors:Kodan, A, Yamaguchi, T, Nakatsu, T, Kato, H.
Deposit date:2013-11-18
Release date:2014-03-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014

223790

数据于2024-08-14公开中

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