4MSA
 
 | | Crystal structure of PDE10A2 with fragment ZT0449 (5-nitro-1H-benzimidazole) | | Descriptor: | 5-nitro-1H-benzimidazole, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | | Authors: | Sridar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | | Deposit date: | 2013-09-18 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
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1XLX
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Cilomilast | | Descriptor: | CILOMILAST, MAGNESIUM ION, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-09-30 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
Structure, 12, 2004
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4MSC
 | | Crystal structure of PDE10A2 with fragment ZT1595 (2-[(quinolin-7-yloxy)methyl]quinoline) | | Descriptor: | 2-[(quinolin-7-yloxy)methyl]quinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | | Deposit date: | 2013-09-18 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
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1XM6
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Mesopram | | Descriptor: | (5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-01 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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1XOS
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Sildenafil | | Descriptor: | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-06 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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1XMU
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Roflumilast | | Descriptor: | 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-04 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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1XN0
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R,S)-Rolipram | | Descriptor: | MAGNESIUM ION, ROLIPRAM, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-04 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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1N2G
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4LLP
 | | Crystal structure of PDE10A2 with fragment ZT401 | | Descriptor: | 4-amino-2-methylphenol, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | | Deposit date: | 2013-07-09 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
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4LM4
 | | Crystal structure of PDE10A2 with fragment ZT902 | | Descriptor: | NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, quinazolin-4(1H)-one | | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | | Deposit date: | 2013-07-10 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
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5ZGR
 | | Crystal structure of NDM-1 at pH7.3 (HEPES) in complex with hydrolyzed ampicillin | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Zhang, H, Hao, Q. | | Deposit date: | 2018-03-10 | | Release date: | 2018-08-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
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4LKQ
 | | Crystal structure of PDE10A2 with fragment ZT017 | | Descriptor: | 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | | Deposit date: | 2013-07-08 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
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1LP4
 | | Crystal structure of a binary complex of the catalytic subunit of protein kinase CK2 with Mg-AMPPNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase CK2 | | Authors: | Niefind, K, Puetter, M, Guerra, B, Issinger, O.-G, Schomburg, D. | | Deposit date: | 2002-05-07 | | Release date: | 2002-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate.
J.Mol.Biol., 347, 2005
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1XMY
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Rolipram | | Descriptor: | MAGNESIUM ION, ROLIPRAM, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-04 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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7RP3
 | | Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, ... | | Authors: | Oh, A, Tam, C, Wang, W. | | Deposit date: | 2021-08-03 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
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7RP2
 | | Crystal structure of Kas G12C in complex with 2H11 CLAMP | | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ... | | Authors: | Oh, A, Tam, C, Wang, W. | | Deposit date: | 2021-08-03 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
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4MSN
 | | Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline) | | Descriptor: | 8-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | | Deposit date: | 2013-09-18 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
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4MS0
 | | Crystal structure of PDE10A2 with fragment ZT0443 (6-chloropyrimidine-2,4-diamine) | | Descriptor: | 6-chloropyrimidine-2,4-diamine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | | Deposit date: | 2013-09-18 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
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3G45
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3ECM
 | | Crystal structure of the unliganded PDE8A catalytic domain | | Descriptor: | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ZINC ION | | Authors: | Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H. | | Deposit date: | 2008-09-01 | | Release date: | 2008-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity
Biochemistry, 47, 2008
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2HIK
 | | heterotrimeric PCNA sliding clamp | | Descriptor: | PCNA1 (SSO0397), PCNA2 (SSO1047), PCNA3 (SSO0405) | | Authors: | Pascal, J.M, Tsodikov, O.V, Ellenberger, T. | | Deposit date: | 2006-06-29 | | Release date: | 2006-11-07 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A Flexible Interface between DNA Ligase and PCNA Supports Conformational Switching and Efficient Ligation of DNA.
Mol.Cell, 24, 2006
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2HII
 | | heterotrimeric PCNA sliding clamp | | Descriptor: | PCNA1 (SSO0397), PCNA2 (SSO1047), PCNA3 (SSO0405) | | Authors: | Pascal, J.M, Tsodikov, O.V, Ellenberger, T. | | Deposit date: | 2006-06-29 | | Release date: | 2006-11-07 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | A Flexible Interface between DNA Ligase and PCNA Supports Conformational Switching and Efficient Ligation of DNA.
Mol.Cell, 24, 2006
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2QX3
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5HL9
 | | E. coli PBP1b in complex with acyl-ampicillin and moenomycin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, MOENOMYCIN, Penicillin-binding protein 1B | | Authors: | King, D.T, Strynadka, N.C.J. | | Deposit date: | 2016-01-14 | | Release date: | 2016-12-14 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Insights into Inhibition of Escherichia coli Penicillin-binding Protein 1B.
J.Biol.Chem., 292, 2017
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5HVZ
 | | Crystal structure of smAKAP AKB domain bound RIa dimerization/docking (D/D) complex at 2.0 A resolution | | Descriptor: | Small membrane A-kinase anchor protein, cAMP-dependent protein kinase type I-alpha regulatory subunit | | Authors: | Wu, J, Burgers, P.P, Bruystens, J, Heck, A.J.R, Taylor, S.S. | | Deposit date: | 2016-01-28 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of smAKAP and its regulation by PKA-mediated phosphorylation.
Febs J., 283, 2016
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