2PWC
| HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor | Descriptor: | CHLORIDE ION, GLYCEROL, Gag-Pol polyprotein (Pr160Gag-Pol), ... | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-05-11 | Release date: | 2008-04-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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1ORV
| Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | Authors: | Engel, M, Hoffmann, T, Wagner, L, Wermann, M, Heiser, U, Kiefersauer, R, Huber, R, Bode, W, Demuth, H.U, Brandstetter, H. | Deposit date: | 2003-03-16 | Release date: | 2003-05-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Crystal Structure of Dipeptidyl Peptidase IV (CD26) Reveals its Functional Regulation and Enzymatic Mechanism Proc.Natl.Acad.Sci.USA, 100, 2003
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3LFM
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3BZ3
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5HAP
| OXA-48 beta-lactamase - S70A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2015-12-30 | Release date: | 2016-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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3BQ5
| Crystal Structure of T. maritima Cobalamin-Independent Methionine Synthase complexed with Zn2+ and Homocysteine (Monoclinic) | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydropteroyltriglutamate-homocysteine methyltransferase, ... | Authors: | Pejchal, R, Smith, J.L, Ludwig, M.L. | Deposit date: | 2007-12-19 | Release date: | 2008-03-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metal active site elasticity linked to activation of homocysteine in methionine synthases. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3L5L
| Xenobiotic Reductase A - oxidized | Descriptor: | (R,R)-2,3-BUTANEDIOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | Authors: | Spiegelhauer, O, Dobbek, H. | Deposit date: | 2009-12-22 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3C05
| Crystal structure of Acostatin from Agkistrodon Contortrix Contortrix | Descriptor: | Disintegrin acostatin alpha, Disintegrin acostatin-beta, SULFATE ION | Authors: | Moiseeva, N, Bau, R, Allaire, M. | Deposit date: | 2008-01-18 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of acostatin, a dimeric disintegrin from southern copperhead
(Agkistrodon contortrix contortrix) at 1.7 A resolution Acta Crystallogr.,Sect.D, 64, 2008
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3L6Y
| Crystal structure of p120 catenin in complex with E-cadherin | Descriptor: | Catenin delta-1, E-cadherin | Authors: | Ishiyama, N, Lee, S.-H, Liu, S, Li, G.-Y, Smith, M.J, Reichardt, L.F, Ikura, M. | Deposit date: | 2009-12-27 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Dynamic and static interactions between p120 catenin and E-cadherin regulate the stability of cell-cell adhesion. Cell(Cambridge,Mass.), 141, 2010
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5TCQ
| Near-atomic resolution cryo-EM structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG | Descriptor: | Protein InvG | Authors: | Worrall, L.J, Hong, C, Vuckovic, M, Bergeron, J.R.C, Huang, R.K, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2016-09-15 | Release date: | 2016-12-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Near-atomic-resolution cryo-EM analysis of the Salmonella T3S injectisome basal body. Nature, 540, 2016
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2Q14
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3C2W
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2PVL
| Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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3LV0
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3C6P
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2PGW
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5HT0
| Crystal structure of an Antibiotic_NAT family aminoglycoside acetyltransferase HMB0038 from an uncultured soil metagenomic sample in complex with coenzyme A | Descriptor: | Aminoglycoside acetyltransferase HMB0005, COENZYME A, SULFATE ION | Authors: | Xu, Z, Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-26 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.752 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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1P29
| Crystal Structure of glycogen phosphorylase b in complex with maltopentaose | Descriptor: | Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Pinotsis, N, Leonidas, D.D, Chrysina, E.D, Oikonomakos, N.G, Mavridis, I.M. | Deposit date: | 2003-04-15 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The binding of beta- and gamma-cyclodextrins to glycogen phosphorylase b: Kinetic and crystallographic studies. Protein Sci., 12, 2003
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5HTL
| Structure of MshE with cdg | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MSHA biogenesis protein MshE | Authors: | Chin, K.H, Wang, Y.C. | Deposit date: | 2016-01-27 | Release date: | 2016-10-05 | Last modified: | 2016-10-12 | Method: | X-RAY DIFFRACTION (1.371 Å) | Cite: | Nucleotide binding by the widespread high-affinity cyclic di-GMP receptor MshEN domain. Nat Commun, 7, 2016
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3LEI
| Lectin Domain of Lectinolysin complexed with Fucose | Descriptor: | CALCIUM ION, NICKEL (II) ION, Platelet aggregation factor Sm-hPAF, ... | Authors: | Feil, S.C. | Deposit date: | 2010-01-14 | Release date: | 2010-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the lectin regulatory domain of the cholesterol-dependent cytolysin lectinolysin reveals the basis for its lewis antigen specificity. Structure, 20, 2012
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3LY8
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5TI1
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5HX2
| In vitro assembled star-shaped hubless T4 baseplate | Descriptor: | Baseplate wedge protein gp10, Baseplate wedge protein gp53, Baseplate wedge protein gp6, ... | Authors: | Yap, M.L, Klose, T, Fokine, A, Rossmann, M.G. | Deposit date: | 2016-01-29 | Release date: | 2016-03-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Role of bacteriophage T4 baseplate in regulating assembly and infection. Proc.Natl.Acad.Sci.USA, 113, 2016
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3L68
| Xenobiotic Reductase A - C25S variant with coumarin | Descriptor: | (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ... | Authors: | Spiegelhauer, O, Dobbek, H. | Deposit date: | 2009-12-23 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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1P6H
| Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE, ... | Authors: | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-04-29 | Release date: | 2004-01-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase. Nat.Struct.Mol.Biol., 11, 2004
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