7CYR
 
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5E2W
 | | Anti-TAU AT8 FAB with triply phosphorylated TAU peptide | | Descriptor: | AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, TAU-PHOSPHOPEPTIDE | | Authors: | Malia, T, Teplyakov, A. | | Deposit date: | 2015-10-01 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
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5E2T
 | | Crystal structure of anti-TAU antibody AT8 FAB | | Descriptor: | AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, CALCIUM ION | | Authors: | Malia, T, Teplyakov, A. | | Deposit date: | 2015-10-01 | | Release date: | 2016-02-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
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4IXH
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Cryptosporidium parvum | | Descriptor: | (2S)-2-(naphthalen-1-yloxy)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide, 1,2-ETHANEDIOL, INOSINIC ACID, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-01-25 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.105 Å) | | Cite: | Optimization of Benzoxazole-Based Inhibitors of Cryptosporidium parvum Inosine 5'-Monophosphate Dehydrogenase.
J.Med.Chem., 56, 2013
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7VW5
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7VB4
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7VGI
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7VGH
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7VGJ
 | | Cryo-EM structure of the human P4-type flippase ATP8B1-CDC50A in the auto-inhibited E2Pi-PS state | | Descriptor: | Cell cycle control protein 50A, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, Phospholipid-transporting ATPase IC | | Authors: | Chen, M.T, Chen, Y, Chen, Z.P, Zhou, C.Z, Hou, W.T, Chen, Y. | | Deposit date: | 2021-09-16 | | Release date: | 2022-03-30 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | Structural insights into the activation of autoinhibited human lipid flippase ATP8B1 upon substrate binding.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4JOO
 | | Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | | Descriptor: | (4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, Beta-secretase 1, NICKEL (II) ION | | Authors: | Vigers, G.P.A, Smith, D. | | Deposit date: | 2013-03-18 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
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2HMF
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5H43
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4RFR
 | | Complex structure of AlkB/rhein | | Descriptor: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | | Authors: | Li, Q, Huang, Y, Li, J.F, Yang, C.-G. | | Deposit date: | 2014-09-27 | | Release date: | 2016-04-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rhein Inhibits AlkB Repair Enzymes and Sensitizes Cells to Methylated DNA Damage.
J.Biol.Chem., 291, 2016
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4JG4
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2BAX
 | | Atomic Resolution Structure of the Double Mutant (K53,56M) of Bovine Pancreatic Phospholipase A2 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | Authors: | Sekar, K, Yogavel, M, Velmurugan, D, Dauter, Z, Dauter, M, Tsai, M.D. | | Deposit date: | 2005-10-15 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic resolution (0.97 A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.F, 61, 2005
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5HMO
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4JPE
 | | Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | | Descriptor: | (4R)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'H-spiro[imidazole-4,1'-naphthalen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | | Authors: | Vigers, G.P.A, Smith, D. | | Deposit date: | 2013-03-19 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
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4R5N
 | | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | | Descriptor: | (4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | Authors: | Vigers, G.P.A, Smith, D. | | Deposit date: | 2014-08-21 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
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4JPC
 | | Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | | Descriptor: | 3-[(4R)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile, Beta-secretase 1, NICKEL (II) ION | | Authors: | Vigers, G.P.A, Smith, D. | | Deposit date: | 2013-03-19 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
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2B96
 | | Third Calcium ion found in an inhibitor bound phospholipase A2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-METHOXYBENZOIC ACID, CALCIUM ION, ... | | Authors: | Sekar, K, Velmurugan, D, Yamane, T, Tsai, M.D. | | Deposit date: | 2005-10-11 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Third Calcium ion found in an inhibitor bound phospholipase A2
Acta Crystallogr.,Sect.D, 62, 2006
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4JP9
 | | Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | | Descriptor: | (4R)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, Beta-secretase 1, NICKEL (II) ION | | Authors: | Vigers, G.P.A, Smith, D. | | Deposit date: | 2013-03-19 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
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1F5R
 | | RAT TRYPSINOGEN MUTANT COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR | | Descriptor: | CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, TRYPSIN II, ... | | Authors: | Pasternak, A, White, A, Cahoon, M, Ringe, D, Hedstrom, L. | | Deposit date: | 2000-06-15 | | Release date: | 2001-07-04 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity.
Protein Sci., 10, 2001
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5YF0
 | | Crystal structure of CARNMT1 bound to SAM | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Cao, R, Zhang, X, Li, H. | | Deposit date: | 2017-09-20 | | Release date: | 2018-08-01 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
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8J45
 | | Crystal structure of a Pichia pastoris-expressed IsPETase variant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly(ethylene terephthalate) hydrolase | | Authors: | Li, X, He, H.L, Long, X, Niu, D, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-04-19 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Complete decomposition of poly(ethylene terephthalate) by crude PET hydrolytic enzyme produced in Pichia pastoris
Chem Eng J, 2023
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5WQA
 | | Crystal structure of PDE4D catalytic domain complexed with Selaginpulvilins K | | Descriptor: | 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y, Zhang, T, Zheng, X, Yin, S, Luo, H.B. | | Deposit date: | 2016-11-24 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The discovery, complex crystal structure, and recognition mechanism of a novel natural PDE4 inhibitor from Selaginella pulvinata
Biochem. Pharmacol., 130, 2017
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