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4FIA
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BU of 4fia by Molmil
Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound
Descriptor: Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Stout, C.D, Pikuleva, I.A, Mast, N.
Deposit date:2012-06-08
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response.
J.Biol.Chem., 288, 2013
1MQR
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BU of 1mqr by Molmil
THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE (E386Q) FROM BACILLUS STEAROTHERMOPHILUS T-6
Descriptor: ALPHA-D-GLUCURONIDASE, GLYCEROL
Authors:Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
Deposit date:2002-09-17
Release date:2003-09-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
8X38
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BU of 8x38 by Molmil
Crystal Structure of Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium
Descriptor: ACETATE ION, Decarboxylative Vanillate 1-Hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Suzuki, H, Mori, R, Ishida, T, Igarashi, K, Shimizu, M.
Deposit date:2023-11-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium
To Be Published
4MRH
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BU of 4mrh by Molmil
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Descriptor: 4-chloro-5-methylbenzene-1,2-diamine, CD44 antigen, DIMETHYL SULFOXIDE
Authors:Liu, L.K, Finzel, B.
Deposit date:2013-09-17
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
3FE2
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BU of 3fe2 by Molmil
Human DEAD-BOX RNA helicase DDX5 (P68), conserved domain I in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Probable ATP-dependent RNA helicase DDX5, ...
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-11-27
Release date:2008-12-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Comparative Structural Analysis of Human DEAD-Box RNA Helicases
Plos One, 5, 2010
2WBG
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BU of 2wbg by Molmil
Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-castanospermine
Descriptor: (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, ACETATE ION, BETA-GLUCOSIDASE A
Authors:Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M.
Deposit date:2009-02-27
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring.
Org.Biomol.Chem., 7, 2009
1MTN
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BU of 1mtn by Molmil
BOVINE ALPHA-CHYMOTRYPSIN:BPTI CRYSTALLIZATION
Descriptor: ALPHA-CHYMOTRYPSIN, BASIC PANCREATIC TRYPSIN INHIBITOR, SULFATE ION
Authors:Capasso, C, Rizzi, M, Menegatti, E, Ascenzi, P, Bolognesi, M.
Deposit date:1996-03-28
Release date:1996-08-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the bovine alpha-chymotrypsin:Kunitz inhibitor complex. An example of multiple protein:protein recognition sites.
J.Mol.Recog., 10, 1997
2E2M
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BU of 2e2m by Molmil
Crystal structure of archaeal peroxiredoxin, thioredoxin peroxidase from Aeropyrum pernix K1 (sulfinic acid form)
Descriptor: Probable peroxiredoxin
Authors:Nakamura, T, Yamamoto, T, Abe, M, Matsumura, H, Hagihara, Y, Goto, T, Yamaguchi, T, Inoue, T.
Deposit date:2006-11-14
Release date:2007-11-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate
Proc.Natl.Acad.Sci.Usa, 105, 2008
4LKT
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BU of 4lkt by Molmil
Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid
Descriptor: AMMONIUM ION, CHLORIDE ION, CITRIC ACID, ...
Authors:Armstrong, E.H, Ortlund, E.A.
Deposit date:2013-07-08
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor beta / delta (FABP5-PPAR beta / delta ) signaling pathway.
J.Biol.Chem., 289, 2014
4FQW
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BU of 4fqw by Molmil
Crystal Structure of AAAA+UDP+Gal at pH 5.0 with MPD as the cryoprotectant
Descriptor: Histo-blood group ABO system transferase, TETRAETHYLENE GLYCOL, URIDINE-5'-DIPHOSPHATE, ...
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-06-25
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
3FJM
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BU of 3fjm by Molmil
crystal structure of phosphate bound PEB3
Descriptor: Major antigenic peptide PEB3, PHOSPHATE ION
Authors:Min, T, Matte, A, Cygler, M.
Deposit date:2008-12-14
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Specificity of Campylobacter jejuni adhesin PEB3 for phosphates and structural differences among its ligand complexes.
Biochemistry, 48, 2009
5GXG
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BU of 5gxg by Molmil
High-resolution crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Kikui, Y, Hiruma, Y, Ubbink, M, Nojiri, M.
Deposit date:2016-09-17
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of productive and futile encounters in an electron transfer protein complex
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5GT8
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BU of 5gt8 by Molmil
Crystal Structure of apo-CASTOR1
Descriptor: GATS-like protein 3
Authors:Guo, L, Deng, D.
Deposit date:2016-08-18
Release date:2017-08-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of arginine sensor CASTOR1 in arginine-bound and ligand free states
Biochem. Biophys. Res. Commun., 508, 2019
4FRD
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BU of 4frd by Molmil
Crystal Structure of ABBA+UDP+Gal at pH 9.0 with MPD as the cryoprotectant
Descriptor: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-06-26
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
5GU2
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BU of 5gu2 by Molmil
Crystal structure of Au(M).CL-apo-E45C/R52C-rHLFr
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ...
Authors:Maity, B, Abe, S, Ueno, T.
Deposit date:2016-08-24
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Observation of gold sub-nanocluster nucleation within a crystalline protein cage
Nat Commun, 8, 2017
2ZTK
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BU of 2ztk by Molmil
Crystal structure of homocitrate synthase from Thermus thermophilus complexed with homocitrate
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, COPPER (II) ION, Homocitrate synthase
Authors:Okada, T, Tomita, T, Kuzuyama, T, Nishiyama, M.
Deposit date:2008-10-06
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Mechanism of substrate recognition and insight into feedback inhibition of homocitrate synthase from Thermus thermophilus
J.Biol.Chem., 285, 2010
2ZU2
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BU of 2zu2 by Molmil
complex structure of CoV 229E 3CL protease with EPDTC
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like proteinase, zinc(II)hydrogensulfide
Authors:Lee, C.C, Wang, A.H.-J.
Deposit date:2008-10-12
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Inhibition Specificities of 3C and 3C-like Proteases by Zinc-coordinating and Peptidomimetic Compounds
J.Biol.Chem., 284, 2009
5DIS
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BU of 5dis by Molmil
Crystal structure of a CRM1-RanGTP-SPN1 export complex bound to a 113 amino acid FG-repeat containing fragment of Nup214
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Monecke, T, Port, S.A, Dickmanns, A, Kehlenbach, R.H, Ficner, R.
Deposit date:2015-09-01
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural and Functional Characterization of CRM1-Nup214 Interactions Reveals Multiple FG-Binding Sites Involved in Nuclear Export.
Cell Rep, 13, 2015
4LO2
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BU of 4lo2 by Molmil
HA17-HA33-Lac
Descriptor: HA-17, HA-33, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
2VOW
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BU of 2vow by Molmil
An oxidized tryptophan facilitates copper-binding in Methylococcus capsulatus secreted protein MopE. The structure of recombinant MopE to 1.65AA
Descriptor: CALCIUM ION, GLYCEROL, SURFACE-ASSOCIATED PROTEIN
Authors:Helland, R, Fjellbirkeland, A, Karlsen, O.A, Ve, T, Lillehaug, J.R, Jensen, H.B.
Deposit date:2008-02-22
Release date:2008-03-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An Oxidized Tryptophan Facilitates Copper Binding in Methylococcus Capsulatus-Secreted Protein Mope.
J.Biol.Chem., 283, 2008
1N0F
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BU of 1n0f by Molmil
CRYSTAL STRUCTURE OF A CELL DIVISION AND CELL WALL BIOSYNTHESIS PROTEIN UPF0040 FROM MYCOPLASMA PNEUMONIAE: INDICATION OF A NOVEL FOLD WITH A POSSIBLE NEW CONSERVED SEQUENCE MOTIF
Descriptor: Protein mraZ
Authors:Chen, S, Jancrick, J, Yokota, H, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
Deposit date:2002-10-13
Release date:2003-10-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a protein associated with cell division from Mycoplasma pneumoniae (GI: 13508053): a novel fold with a conserved sequence motif.
Proteins, 55, 2004
2VV1
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BU of 2vv1 by Molmil
hPPARgamma Ligand binding domain in complex with 4-HDHA
Descriptor: (4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
Authors:Itoh, T, Fairall, L, Schwabe, J.W.R.
Deposit date:2008-06-02
Release date:2008-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
8X43
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BU of 8x43 by Molmil
human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2
Descriptor: Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Ma, D, Guo, J.
Deposit date:2023-11-15
Release date:2024-01-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
2E5D
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BU of 2e5d by Molmil
Crystal structure of Human NMPRTase complexed with nicotinamide
Descriptor: NICOTINAMIDE, Nicotinamide phosphoribosyltransferase
Authors:Takahashi, R, Nakamura, S, Kobayashi, Y, Ohkubo, T.
Deposit date:2006-12-20
Release date:2007-12-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and reaction mechanism of human nicotinamide phosphoribosyltransferase
J.Biochem., 147, 2010
4F9U
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BU of 4f9u by Molmil
Structure of glycosylated glutaminyl cyclase from Drosophila melanogaster
Descriptor: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CG32412, ...
Authors:Kolenko, P, Koch, B, Ruiz-Carilo, D, Stubbs, M.T.
Deposit date:2012-05-21
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Glutaminyl Cyclases (QCs) from Drosophila melanogaster Reveal Active Site Conservation between Insect and Mammalian QCs.
Biochemistry, 51, 2012

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數據於2024-08-14公開中

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