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7LWT
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UK (B.1.1.7) SARS-CoV-2 spike protein variant (S-GSAS-B.1.1.7) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-01
Release date:2021-03-31
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
3H0A
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Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist
Descriptor: 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 1, Co-activator Peptide, ...
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2009-04-08
Release date:2009-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
3QHM
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Crystal analysis of the complex structure, E342A-cellotetraose, of endocellulase from pyrococcus horikoshii
Descriptor: 458aa long hypothetical endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Kim, H.-W, Ishikawa, K.
Deposit date:2011-01-26
Release date:2012-02-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots
Biochem.J., 437, 2011
3H6V
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BU of 3h6v by Molmil
Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS5206 at 2.10 A resolution
Descriptor: (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide, DIMETHYL SULFOXIDE, GLUTAMIC ACID, ...
Authors:Hald, H, Gajhede, M, Kastrup, J.S.
Deposit date:2009-04-24
Release date:2009-07-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2.
J.Mol.Biol., 391, 2009
4J3W
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BU of 4j3w by Molmil
Crystal structure of barley limit dextrinase (E510A mutant) in complex with a branched maltohexasaccharide
Descriptor: CALCIUM ION, IODIDE ION, Limit dextrinase, ...
Authors:Sim, L, Windahl, M.S, Moeller, M.S, Henriksen, A.
Deposit date:2013-02-06
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Oligosaccharide and substrate binding in the starch debranching enzyme barley limit dextrinase
J.Mol.Biol., 427, 2015
3CK9
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BU of 3ck9 by Molmil
B. thetaiotaomicron SusD with maltoheptaose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SusD, ...
Authors:Koropatkin, N.M, Martens, E.C, Gordon, J.I, Smith, T.J.
Deposit date:2008-03-14
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Starch catabolism by a prominent human gut symbiont is directed by the recognition of amylose helices.
Structure, 16, 2008
3HGP
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Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by high resolution crystallography
Descriptor: 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid, CALCIUM ION, Elastase-1, ...
Authors:Tamada, T, Kinoshita, T, Kuroki, R, Tada, T.
Deposit date:2009-05-14
Release date:2009-07-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Combined High-Resolution Neutron and X-ray Analysis of Inhibited Elastase Confirms the Active-Site Oxyanion Hole but Rules against a Low-Barrier Hydrogen Bond
J.Am.Chem.Soc., 131, 2009
3A5V
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Crystal structure of alpha-galactosidase I from Mortierella vinacea
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fujimoto, Z, Kaneko, S, Kobayashi, H.
Deposit date:2009-08-12
Release date:2009-08-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Tetramer Structure of the Glycoside Hydrolase Family 27 alpha-Galactosidase I from Umbelopsis vinacea
Biosci.Biotechnol.Biochem., 73, 2009
1J88
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HUMAN HIGH AFFINITY FC RECEPTOR FC(EPSILON)RI(ALPHA), TETRAGONAL CRYSTAL FORM 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIGH AFFINITY IMMUNOGLOBULIN EPSILON RECEPTOR ALPHA-SUBUNIT, ...
Authors:Garman, S.C, Sechi, S, Kinet, J.P, Jardetzky, T.S.
Deposit date:2001-05-20
Release date:2001-08-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The analysis of the human high affinity IgE receptor Fc epsilon Ri alpha from multiple crystal forms.
J.Mol.Biol., 311, 2001
3D7H
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A high resolution crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DCIBzL, a urea-based inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lubkowski, J, Barinka, C.
Deposit date:2008-05-21
Release date:2008-12-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
J.Med.Chem., 51, 2008
4B71
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BU of 4b71 by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
Descriptor: (1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3
Authors:Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
Deposit date:2012-08-16
Release date:2012-10-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
3UAN
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BU of 3uan by Molmil
Crystal structure of 3-O-sulfotransferase (3-OST-1) with bound PAP and heptasaccharide substrate
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ...
Authors:Moon, A.F, Xu, Y, Woody, S.M, Krahn, J.M, Linhardt, R.J, Liu, J, Pedersen, L.C.
Deposit date:2011-10-21
Release date:2012-04-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Dissecting the substrate recognition of 3-O-sulfotransferase for the biosynthesis of anticoagulant heparin.
Proc.Natl.Acad.Sci.USA, 109, 2012
7DJR
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BU of 7djr by Molmil
Crystal structure of SARS-CoV-2 main protease (no ligand)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Deetanya, P, Wangkanont, K.
Deposit date:2020-11-21
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification.
Comput Struct Biotechnol J, 19, 2021
5R9I
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BU of 5r9i by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment TCJ795 in complex with MAP kinase p38-alpha
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
1MAA
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BU of 1maa by Molmil
MOUSE ACETYLCHOLINESTERASE CATALYTIC DOMAIN, GLYCOSYLATED PROTEIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Bourne, Y, Taylor, P, Bougis, P.E, Marchot, P.
Deposit date:1998-11-04
Release date:1999-04-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of mouse acetylcholinesterase. A peripheral site-occluding loop in a tetrameric assembly.
J.Biol.Chem., 274, 1999
7DKS
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BU of 7dks by Molmil
Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium xylanolyticum
Descriptor: CALCIUM ION, GLYCEROL, beta-glucosidase
Authors:Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:2020-11-25
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for transglycosylation in glycoside hydrolase family GH116 glycosynthases.
Arch.Biochem.Biophys., 706, 2021
3EQD
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BU of 3eqd by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ATP-GS and MG2P
Descriptor: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
5WZE
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BU of 5wze by Molmil
The structure of Pseudomonas aeruginosa aminopeptidase PepP
Descriptor: 1,2-ETHANEDIOL, ALANINE, Aminopeptidase P, ...
Authors:Bao, R, Peng, C.T, Liu, L, He, L.H, Li, C.C, Li, T, Shen, Y.L, Zhu, Y.B, Song, Y.J.
Deposit date:2017-01-17
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Structure-Function Relationship of Aminopeptidase P from Pseudomonas aeruginosa.
Front Microbiol, 8, 2017
5ZCB
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BU of 5zcb by Molmil
Crystal structure of Alpha-glucosidase
Descriptor: Alpha-glucosidase, CALCIUM ION
Authors:Kato, K, Saburi, W, Yao, M.
Deposit date:2018-02-16
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Function and structure of GH13_31 alpha-glucosidase with high alpha-(1→4)-glucosidic linkage specificity and transglucosylation activity.
FEBS Lett., 592, 2018
5WZQ
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BU of 5wzq by Molmil
Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - quadruple mutant
Descriptor: Alpha-N-acetylgalactosaminidase, GLYCEROL, ZINC ION
Authors:Sato, M, Arakawa, T, Ashida, H, Fushinobu, S.
Deposit date:2017-01-18
Release date:2017-06-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
J. Biol. Chem., 292, 2017
3HG1
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BU of 3hg1 by Molmil
Germline-governed recognition of a cancer epitope by an immunodominant human T cell receptor
Descriptor: Beta-2-microglobulin, CANCER/MART-1, GLYCEROL, ...
Authors:Cole, D.K, Yuan, F, Rizkallah, P.J, Miles, J.J, Gostick, E, Price, D.A, Gao, G.F, Jakobsen, B.K, Sewell, A.K.
Deposit date:2009-05-13
Release date:2009-07-28
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Germ line-governed recognition of a cancer epitope by an immunodominant human T-cell receptor.
J.Biol.Chem., 284, 2009
4HWY
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BU of 4hwy by Molmil
Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H.
Deposit date:2012-11-09
Release date:2012-12-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339, 2013
3HD6
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BU of 3hd6 by Molmil
Crystal Structure of the Human Rhesus Glycoprotein RhCG
Descriptor: Ammonium transporter Rh type C, octyl beta-D-glucopyranoside
Authors:Gruswitz, F, Chaudhary, S, Ho, J.D, Pezeshki, B, Ho, C.-M, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
Deposit date:2009-05-06
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Function of human Rh based on structure of RhCG at 2.1 A.
Proc.Natl.Acad.Sci.USA, 107, 2010
3E6P
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Crystal structure of human meizothrombin desF1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE, Prothrombin, ...
Authors:Papaconstantinou, M.E, Gandhi, P, Chen, Z, Bah, A, Di Cera, E.
Deposit date:2008-08-15
Release date:2008-11-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Na(+) binding to meizothrombin desF1.
Cell.Mol.Life Sci., 65, 2008
5WZM
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Crystal structure of human secreted phospholipase A2 group IIE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Hou, S, Xu, J, Xu, T, Liu, J.
Deposit date:2017-01-18
Release date:2018-01-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017

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