4DRN
 
 | | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | | Deposit date: | 2012-02-17 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.069 Å) | | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
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6QJB
 | | Truncated Evasin-3 (tEv3 17-56) | | Descriptor: | Evasin-3 | | Authors: | Denisov, S.S, Ippel, J.H, Heinzman, A.C.A, Koenen, R.R, Ortega-Gomez, A, Soehnlein, O, Hackeng, T.M, Dijkgraaf, I. | | Deposit date: | 2019-01-24 | | Release date: | 2019-07-03 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Tick saliva protein Evasin-3 modulates chemotaxis by disrupting CXCL8 interactions with glycosaminoglycans and CXCR2.
J.Biol.Chem., 294, 2019
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4EOK
 | | Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102 | | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, MONOTHIOGLYCEROL, ... | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4EOS
 | | Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306 | | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4EUX
 | | Structure of neuronal nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)pentyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2012-04-25 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
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4EY0
 | | Structure of tandem SH2 domains from PLCgamma1 | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | | Authors: | Cole, A.R, Mas-Droux, C.P, Bunney, T.D, Katan, M. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-31 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and Functional Integration of the PLCgamma Interaction Domains Critical for Regulatory Mechanisms and Signaling Deregulation.
Structure, 20, 2012
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8BV0
 | | Binary complex between the NB-ARC domain from the Tomato immune receptor NRC1 and the SPRY domain-containing effector SS15 from the potato cyst nematode | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NRC1, Truncated secreted SPRY domain-containing protein 15 (Fragment) | | Authors: | Contreras, M.P, Pai, H, Muniyandi, S, Toghani, A, Lawson, D.M, Tumtas, Y, Duggan, C, Yuen, E.L.H, Stevenson, C.E.M, Harant, A, Wu, C.H, Bozkurt, T.O, Kamoun, S, Derevnina, L. | | Deposit date: | 2022-12-01 | | Release date: | 2022-12-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Resurrection of plant disease resistance proteins via helper NLR bioengineering.
Sci Adv, 9, 2023
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2HD0
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2H9H
 | | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | | Descriptor: | Hepatitis A virus protease 3C, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Three residue peptide | | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | | Deposit date: | 2006-06-09 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors.
J.Mol.Biol., 361, 2006
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7ZFR
 | | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ... | | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | | Deposit date: | 2022-04-01 | | Release date: | 2023-04-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
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7ZJJ
 | | CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379 | | Descriptor: | CspZ, NITRATE ION | | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | | Deposit date: | 2022-04-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZJM
 | | Crystal structure of a complex between CspZ from Borrelia burgdorferi strain B408 and human FH SCR domains 6-7 | | Descriptor: | Complement factor H, CspZ, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | | Deposit date: | 2022-04-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZJK
 | | CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408 | | Descriptor: | CspZ | | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | | Deposit date: | 2022-04-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZQZ
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7ZSW
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3MHW
 | | The complex crystal Structure of Urokianse and 2-Aminobenzothiazole | | Descriptor: | 1,3-benzothiazol-2-amine, SULFATE ION, Urokinase-type plasminogen activator | | Authors: | Jiang, L.-G, Yuan, C, Chen, L.-Q, Huang, M.-D. | | Deposit date: | 2010-04-09 | | Release date: | 2010-04-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structures of 2-Aminobenzothiazole-based Inhibitors in Complexes with Urokinase-type Plasminogen Activator
CHIN.J.STRUCT.CHEM., 28, 2009
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3MKA
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3MSN
 | | Crystal structure of Thermolysin in complex with N-methylurea | | Descriptor: | CALCIUM ION, GLYCEROL, N-METHYLUREA, ... | | Authors: | Behnen, J, Heine, A, Klebe, G. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
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1HLU
 | | STRUCTURE OF BOVINE BETA-ACTIN-PROFILIN COMPLEX WITH ACTIN BOUND ATP PHOSPHATES SOLVENT ACCESSIBLE | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, BETA-ACTIN, CALCIUM ION, ... | | Authors: | Chik, J.K, Lindberg, U, Schutt, C.E. | | Deposit date: | 1997-05-30 | | Release date: | 1997-10-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The structure of an open state of beta-actin at 2.65 A resolution.
J.Mol.Biol., 263, 1996
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3M35
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1HLE
 | | CRYSTAL STRUCTURE OF CLEAVED EQUINE LEUCOCYTE ELASTASE INHIBITOR DETERMINED AT 1.95 ANGSTROMS RESOLUTION | | Descriptor: | CALCIUM ION, HORSE LEUKOCYTE ELASTASE INHIBITOR | | Authors: | Baumann, U, Bode, W, Huber, R, Travis, J, Potempa, J. | | Deposit date: | 1992-04-13 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of cleaved equine leucocyte elastase inhibitor determined at 1.95 A resolution.
J.Mol.Biol., 226, 1992
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3MLE
 | | Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori cocrystallized with ATP | | Descriptor: | 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Nicholls, R, Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-04-16 | | Release date: | 2010-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
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1HSO
 | | HUMAN ALPHA ALCOHOL DEHYDROGENASE (ADH1A) | | Descriptor: | 4-IODOPYRAZOLE, CLASS I ALCOHOL DEHYDROGENASE 1, ALPHA SUBUNIT, ... | | Authors: | Niederhut, M.S, Gibbons, B.J, Perez-Miller, S, Hurley, T.D. | | Deposit date: | 2000-12-27 | | Release date: | 2001-01-10 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three-dimensional structures of the three human class I alcohol dehydrogenases.
Protein Sci., 10, 2001
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3MJI
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2HRV
 | | 2A CYSTEINE PROTEINASE FROM HUMAN RHINOVIRUS 2 | | Descriptor: | 2A CYSTEINE PROTEINASE, ZINC ION | | Authors: | Petersen, J.F.W, Cherney, M.M, Liebig, H.-D, Skern, T, Kuechler, E, James, M.N.G. | | Deposit date: | 1999-04-29 | | Release date: | 2000-05-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The structure of the 2A proteinase from a common cold virus: a proteinase responsible for the shut-off of host-cell protein synthesis.
EMBO J., 18, 1999
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