4DAJ
 
 | | Structure of the M3 Muscarinic Acetylcholine Receptor | | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ... | | Authors: | Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B. | | Deposit date: | 2012-01-12 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure and dynamics of the M3 muscarinic acetylcholine receptor.
Nature, 482, 2012
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5XFY
 | | Crystal structure of a novel PET hydrolase S131A mutant from Ideonella sakaiensis 201-F6 | | Descriptor: | GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION | | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-04-11 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural insight into catalytic mechanism of PET hydrolase
Nat Commun, 8, 2017
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3NLI
 | | Structure of endothelial nitric oxide synthase N368D mutant heme domain complexed with 6-{{(3'R,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2010-06-21 | | Release date: | 2010-11-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
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5XG0
 | | Crystal structure of a novel PET hydrolase from Ideonella sakaiensis 201-F6 | | Descriptor: | Poly(ethylene terephthalate) hydrolase | | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-04-11 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural insight into catalytic mechanism of PET hydrolase
Nat Commun, 8, 2017
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3NLX
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2- (2,2-Difluoro-2-(3-fluorophenyl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Delker, S.L, Poulos, T.L. | | Deposit date: | 2010-06-21 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
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3KZ0
 | | MCL-1 complex with MCL-1-specific selected peptide | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 specific peptide MB7, SULFATE ION, ... | | Authors: | Dutta, S, Fire, E, Grant, R.A, Sauer, R.T, Keating, A.E. | | Deposit date: | 2009-12-07 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.349 Å) | | Cite: | Determinants of BH3 binding specificity for Mcl-1 versus Bcl-xL.
J.Mol.Biol., 398, 2010
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3QZX
 | | 3D Structure of ferric methanosarcina acetivorans protoglobin Y61A mutant with unknown ligand | | Descriptor: | GLYCEROL, Methanosarcina acetivorans protoglobin, PHOSPHATE ION, ... | | Authors: | Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M. | | Deposit date: | 2011-03-07 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
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4DBL
 | | Crystal structure of E159Q mutant of BtuCDF | | Descriptor: | PHOSPHATE ION, SULFATE ION, Vitamin B12 import ATP-binding protein BtuD, ... | | Authors: | Korkhov, V.M, Mireku, S.M, Hvorup, R.N, Locher, K.P. | | Deposit date: | 2012-01-16 | | Release date: | 2012-03-07 | | Last modified: | 2012-05-23 | | Method: | X-RAY DIFFRACTION (3.493 Å) | | Cite: | Asymmetric states of vitamin B12 transporter BtuCD are not discriminated by its cognate substrate binding protein BtuF.
Febs Lett., 586, 2012
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3NMV
 | | Crystal structure of pyrabactin-bound abscisic acid receptor PYL2 mutant A93F in complex with type 2C protein phosphatase ABI2 | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Yong, E.-L, Xu, H.E. | | Deposit date: | 2010-06-22 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification and mechanism of ABA receptor antagonism.
Nat.Struct.Mol.Biol., 17, 2010
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3L02
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase E92A mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline | | Descriptor: | N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ... | | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | | Deposit date: | 2009-12-09 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
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3NBJ
 | | Crystal Structure of Y305F mutant of the copper amine oxidase from Hansenula polymorpha expressed in yeast | | Descriptor: | COPPER (II) ION, PHOSPHATE ION, Peroxisomal primary amine oxidase | | Authors: | Chen, Z, Datta, S, DuBois, J.L, Klinman, J.P, Mathews, F.S. | | Deposit date: | 2010-06-03 | | Release date: | 2010-08-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mutation at a strictly conserved, active site tyrosine in the copper amine oxidase leads to uncontrolled oxygenase activity.
Biochemistry, 49, 2010
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5Z85
 | | The structure of azide-bound cytochrome c oxidase determined using the another batch crystals exposed to 20 mM azide solution for 2 days | | 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: | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | | Deposit date: | 2018-01-31 | | Release date: | 2018-08-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
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4A0G
 | | Structure of bifunctional DAPA aminotransferase-DTB synthetase from Arabidopsis thaliana in its apo form. | | Descriptor: | ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Cobessi, D, Dumas, R, Pautre, V, Meinguet, C, Ferrer, J.L, Alban, C. | | Deposit date: | 2011-09-09 | | Release date: | 2012-06-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Biochemical and Structural Characterization of the Arabidopsis Bifunctional Enzyme Dethiobiotin Synthetase-Diaminopelargonic Acid Aminotransferase: Evidence for Substrate Channeling in Biotin Synthesis.
Plant Cell, 24, 2012
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3KBH
 | | Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Wu, K, Li, W, Peng, G, Li, F. | | Deposit date: | 2009-10-20 | | Release date: | 2009-12-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
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43C9
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3NDP
 | | Crystal structure of human AK4(L171P) | | Descriptor: | Adenylate kinase isoenzyme 4, SULFATE ION | | Authors: | Liu, R, Wang, Y, Wei, Z, Gong, W. | | Deposit date: | 2010-06-07 | | Release date: | 2010-06-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of human adenylate kinase 4 (L171P) suggests the role of hinge region in protein domain motion
Biochem.Biophys.Res.Commun., 379, 2009
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3KF0
 | | HIV Protease with fragment 4D9 bound | | Descriptor: | (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... | | Authors: | Stout, C.D, Perryman, A.L. | | Deposit date: | 2009-10-27 | | Release date: | 2010-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
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3KCG
 | | Crystal structure of the antithrombin-factor IXa-pentasaccharide complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, Antithrombin-III, ... | | Authors: | Huntington, J.A, Johnson, D.J.D. | | Deposit date: | 2009-10-21 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis of factor IXa recognition by heparin-activated antithrombin revealed by a 1.7-A structure of the ternary complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4A3H
 | | 2',4' DINITROPHENYL-2-DEOXY-2-FLURO-B-D-CELLOBIOSIDE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS AT 1.6 A RESOLUTION | | Descriptor: | 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-D-CELLOBIOSIDE, PROTEIN (ENDOGLUCANASE) | | Authors: | Davies, G.J, Brzozowski, A.M, Andersen, K, Schulein, M, Mackenzie, L, Withers, S.G. | | Deposit date: | 1998-07-22 | | Release date: | 1999-07-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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3R6I
 | | AKR1C3 complex with meclofenamic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, ... | | Authors: | Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. | | Deposit date: | 2011-03-21 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
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3KFS
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4AGK
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4DJI
 | | Structure of glutamate-GABA antiporter GadC | | Descriptor: | Probable glutamate/gamma-aminobutyrate antiporter | | Authors: | Ma, D, Lu, P.L, Yan, C.Y, Fan, C, Yin, P, Wang, J.W, Shi, Y.G. | | Deposit date: | 2012-02-02 | | Release date: | 2012-03-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.187 Å) | | Cite: | Structure and mechanism of a glutamate-GABA antiporter
Nature, 483, 2012
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3NH3
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3KF5
 | | Structure of invertase from Schwanniomyces occidentalis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Invertase | | Authors: | Sanz-Aparicio, J, Polo, A. | | Deposit date: | 2009-10-27 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding
J.Biol.Chem., 285, 2010
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