5U7I
 
 | | PDE2 catalytic domain complexed with inhibitors | | Descriptor: | 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Pandit, J. | | Deposit date: | 2016-12-12 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 2017
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5U15
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5TQA
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5TRP
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5U7J
 | | PDE2 catalytic domain complexed with inhibitors | | Descriptor: | 5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Pandit, J, Parris, K. | | Deposit date: | 2016-12-12 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 2017
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5TPP
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5U7D
 | | PDE2 catalytic domain complexed with inhibitors | | Descriptor: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Pandit, J, Parris, K. | | Deposit date: | 2016-12-12 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 2017
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5U0R
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4L4Y
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5U7K
 | | PDE2 catalytic domain complexed with inhibitors | | Descriptor: | 3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Pandit, J, Parris, K. | | Deposit date: | 2016-12-12 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 2017
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5TPL
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5TUS
 | | Potent competitive inhibition of human ribonucleotide reductase by a novel non-nucleoside small molecule | | Descriptor: | 2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | | Authors: | Mohammed, F.A, Alam, I, Dealwis, C.G. | | Deposit date: | 2016-11-07 | | Release date: | 2017-08-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Potent competitive inhibition of human ribonucleotide reductase by a nonnucleoside small molecule.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4L4Z
 | | Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition | | Descriptor: | (2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate, Transcriptional regulator LsrR | | Authors: | Ryu, K.S, Ha, J.H, Eo, Y. | | Deposit date: | 2013-06-10 | | Release date: | 2013-11-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
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4L50
 | | Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition | | Descriptor: | (2S)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate, Transcriptional regulator LsrR | | Authors: | Ryu, K.S, Ha, J.H, Eo, Y. | | Deposit date: | 2013-06-10 | | Release date: | 2013-11-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
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4L5I
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4L6B
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2QSQ
 | | Crystal structure of the N-terminal domain of carcinoembryonic antigen (CEA) | | Descriptor: | CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 5, GLYCEROL | | Authors: | Le Trong, I, Korotkova, N, Moseley, S.L, Stenkamp, R.E. | | Deposit date: | 2007-07-31 | | Release date: | 2008-01-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation.
Mol.Microbiol., 67, 2008
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2OXP
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2QST
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3KY9
 | | Autoinhibited Vav1 | | Descriptor: | Proto-oncogene vav, ZINC ION | | Authors: | Tomchick, D.R, Rosen, M.K, Machius, M, Yu, B. | | Deposit date: | 2009-12-04 | | Release date: | 2010-02-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.731 Å) | | Cite: | Structural and Energetic Mechanisms of Cooperative Autoinhibition and Activation of Vav1
Cell(Cambridge,Mass.), 140, 2010
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6ZOD
 | | Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer | | Descriptor: | 1,2-ETHANEDIOL, DARPIN, DECANE, ... | | Authors: | Oswald, C, Tam, H.K, Pos, K.M. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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1HSJ
 | | SARR MBP FUSION STRUCTURE | | Descriptor: | FUSION PROTEIN CONSISTING OF STAPHYLOCOCCUS ACCESSORY REGULATOR PROTEIN R AND MALTOSE BINDING PROTEIN, alpha-D-glucopyranose | | Authors: | Zhang, G. | | Deposit date: | 2000-12-26 | | Release date: | 2001-06-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the SarR protein from Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 98, 2001
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4PHV
 | | X-RAY CRYSTAL STRUCTURE OF THE HIV PROTEASE COMPLEX WITH L-700,417, AN INHIBITOR WITH PSEUDO C2 SYMMETRY | | Descriptor: | HIV-1 PROTEASE, N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | | Authors: | Bone, R. | | Deposit date: | 1991-10-04 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-Ray Crystal Structure of the HIV Protease Complex with L-700,417, an Inhibitor with Pseudo C2 Symmetry
J.Am.Chem.Soc., 113, 1991
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4SGA
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4G57
 | | Staphylococcal Nuclease double mutant I72L, I92L | | Descriptor: | Thermonuclease | | Authors: | Sakon, J, Stites, W.E, Gill, E, Latimer, E, Rosser, J. | | Deposit date: | 2012-07-17 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: |
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