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3S6T
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BU of 3s6t by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 V327G complexed with PUGNAc
Descriptor: N-acetylglucosaminidase, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Authors:Zhang, H, Liu, T, Yang, Q, Shen, X.
Deposit date:2011-05-26
Release date:2012-04-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Active-pocket size differentiating insectile from bacterial chitinolytic beta-N-acetyl-D-hexosaminidases.
Biochem.J., 438, 2011
3S8F
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1.8 A structure of ba3 cytochrome c oxidase from Thermus thermophilus in lipid environment
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
Authors:Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V.
Deposit date:2011-05-27
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment.
Plos One, 6, 2011
3VHZ
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Crystal structure of the trans isomer of the L93A mutant of bacteriorhodopsin
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, 3-O-sulfo-beta-D-galactopyranose-(1-6)-alpha-D-mannopyranose-(1-2)-alpha-D-glucopyranose, Bacteriorhodopsin, ...
Authors:Kouyama, T, Zhang, J.
Deposit date:2011-09-13
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the O intermediate of the Leu93Ala mutant of bacteriorhodopsin
Proteins, 80, 2012
3SCQ
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Crystal Structure of Rice BGlu1 E386A Mutant Complexed with alpha-Glucosyl Fluoride
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ...
Authors:Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R.
Deposit date:2011-06-08
Release date:2012-06-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases
to be published
3S3D
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Structure of Thermus thermophilus cytochrome ba3 oxidase 480s after Xe depressurization
Descriptor: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D.
Deposit date:2011-05-18
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase.
Biochemistry, 51, 2012
3ZSL
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Crystal structure of Apo Human Galectin-3 CRD at 1.08 angstrom resolution, at cryogenic temperature
Descriptor: GALECTIN-3
Authors:Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T.
Deposit date:2011-06-28
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics.
Biochemistry, 51, 2012
3RQK
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Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer
Descriptor: 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2011-04-28
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 21, 2013
3R8G
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BU of 3r8g by Molmil
AKR1C3 complex with ibuprofen
Descriptor: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ...
Authors:Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J.
Deposit date:2011-03-24
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
3ZK6
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Crystal structure of Bcl-xL in complex with inhibitor (Compound 2).
Descriptor: BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-01-22
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3WX2
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BU of 3wx2 by Molmil
Mouse Cereblon thalidomide binding domain, native
Descriptor: Protein cereblon, SULFATE ION, ZINC ION
Authors:Mori, T, Ito, T, Hirano, Y, Yamaguchi, Y, Handa, H, Hakoshima, T.
Deposit date:2014-07-10
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the human Cereblon-DDB1-lenalidomide complex reveals basis for responsiveness to thalidomide analogs
Nat.Struct.Mol.Biol., 21, 2014
3W59
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Crystal structure of Galectin-1 in the lactose-unbound state(P212121)
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, Galectin-1, ...
Authors:Saburi, H, Tanaka, T, Kunishima, N.
Deposit date:2013-01-26
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Galectin-1 in the lactose-unbound state
To be Published
3W5M
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BU of 3w5m by Molmil
Crystal Structure of Streptomyces avermitilis alpha-L-rhamnosidase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Putative rhamnosidase
Authors:Fujimoto, Z, Jackson, A, Michikawa, M, Maehara, T, Momma, M, Henrissat, B.F, Gilbert, H.J, Kaneko, S.
Deposit date:2013-01-31
Release date:2013-03-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of a Streptomyces avermitilis alpha-L-rhamnosidase reveals a novel carbohydrate-binding module CBM67 within the six-domain arrangement.
J.Biol.Chem., 288, 2013
3WFC
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BU of 3wfc by Molmil
Reduced and carbonmonoxide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment
Descriptor: CALCIUM ION, CARBON MONOXIDE, FE (III) ION, ...
Authors:Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T.
Deposit date:2013-07-18
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes.
Proteins, 82, 2014
3W81
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BU of 3w81 by Molmil
Human alpha-l-iduronidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ...
Authors:Maita, N, Tsukimura, T, Taniguchi, T, Saito, S, Ohno, K, Taniguchi, H, Sakuraba, H.
Deposit date:2013-03-11
Release date:2013-08-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human alpha-L-iduronidase uses its own N-glycan as a substrate-binding and catalytic module
Proc.Natl.Acad.Sci.USA, 110, 2013
3WG7
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A 1.9 angstrom radiation damage free X-ray structure of large (420KDa) protein by femtosecond crystallography
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Hirata, K, Shinzawa-Itoh, K, Yano, N, Takemura, S, Kato, K, Hatanaka, M, Muramoto, K, Kawahara, T, Tsukihara, T, Yamashita, E, Tono, K, Ueno, G, Hikima, T, Murakami, H, Inubushi, Y, Yabashi, M, Ishikawa, T, Yamamoto, M, Ogura, T, Sugimoto, H, Shen, J.R, Yoshikawa, S, Ago, H.
Deposit date:2013-07-29
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL.
Nat.Methods, 11, 2014
3W9T
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BU of 3w9t by Molmil
pore-forming CEL-III
Descriptor: CALCIUM ION, Hemolytic lectin CEL-III, MAGNESIUM ION, ...
Authors:Unno, H, Goda, S, Hatakeyama, T.
Deposit date:2013-04-16
Release date:2014-03-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Hemolytic lectin CEL-III heptamer reveals its transmembrane pore-formation mechanism
J.Biol.Chem., 2014
3SGX
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BU of 3sgx by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1100
Descriptor: 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3S8A
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BU of 3s8a by Molmil
Structure of Yeast Ribonucleotide Reductase R293A with dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large chain 1
Authors:Ahmad, M.F, Kaushal, P.S, Wan, Q, Wijeratna, S.R, Huang, M, Dealwis, C.D.
Deposit date:2011-05-27
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and biochemical basis of lethal mutant R293A of yeast ribonucleotide reductase
To be Published
3WLU
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BU of 3wlu by Molmil
Crystal Structure of human galectin-9 NCRD with Selenolactose
Descriptor: 2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside, Galectin-9
Authors:Makyio, H, Suzuki, T, Ando, H, Yamada, Y, Ishida, H, Kiso, M, Wakatsuki, S, Kato, R.
Deposit date:2013-11-14
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Expanded potential of seleno-carbohydrates as a molecular tool for X-ray structural determination of a carbohydrate-protein complex with single/multi-wavelength anomalous dispersion phasing
Bioorg.Med.Chem., 22, 2014
3WPG
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BU of 3wpg by Molmil
Crystal structure of mouse TLR9 in complex with inhibitory DNA4084 (form 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*CP*CP*TP*GP*GP*AP*TP*GP*GP*GP*AP*A)-3'), SULFATE ION, ...
Authors:Ohto, U, Shimizu, T.
Deposit date:2014-01-11
Release date:2015-02-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9
Nature, 520, 2015
3WQ5
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beta-Primeverosidase in complex with disaccharide substrate-analog N-beta-primeverosylamidine, natural aglycone derivative
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-phenyl-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)ethylamidine, ...
Authors:Saino, H.
Deposit date:2014-01-22
Release date:2014-04-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of beta-primeverosidase in complex with disaccharide amidine inhibitors.
J.Biol.Chem., 289, 2014
3SCP
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BU of 3scp by Molmil
Crystal Structure of Rice BGlu1 E386A Mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLYCEROL, ...
Authors:Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R.
Deposit date:2011-06-08
Release date:2012-06-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases
to be published
3SEQ
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BU of 3seq by Molmil
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in complex with AMPCPP and NaAD+
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ...
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-06-10
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7342 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
3WV6
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Crystal Structure of a protease-resistant mutant form of human galectin-9
Descriptor: 1,2-ETHANEDIOL, Galectin-9, ZINC ION, ...
Authors:Yoshida, H, Kamitori, S.
Deposit date:2014-05-16
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray structure of a protease-resistant mutant form of human galectin-9 having two carbohydrate recognition domains with a metal-binding site
Biochem.Biophys.Res.Commun., 490, 2017
3S87
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Structure of Yeast Ribonucleotide Reductase 1 with dGTP and ADP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ahmad, M.F, Kaushal, P.S, Wan, Q, Wijeratna, S.R, Huang, M, Dealwis, C.D.
Deposit date:2011-05-27
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and biochemical basis of lethal mutant R293A of yeast ribonucleotide reductase
To be Published

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