6ZCH
 
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7B27
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6MSC
 | | Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors | | Descriptor: | 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Jakob, C.G. | | Deposit date: | 2018-10-16 | | Release date: | 2019-01-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
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6MSA
 | | Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors | | Descriptor: | 7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Jakob, C.G. | | Deposit date: | 2018-10-16 | | Release date: | 2019-01-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
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4CZU
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4D28
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4CZT
 | | Crystal structure of the kinase domain of CIPK23 | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CBL-INTERACTING SERINE/THREONINE-PROTEIN KINASE 23, SULFATE ION | | Authors: | Chaves-Sanjuan, A, Sanchez-Barrena, M.J, Albert, A. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Regulatory Mechanism of the Plant Cipk Family of Protein Kinases Controlling Ion Homeostasis and Abiotic Stress
Proc.Natl.Acad.Sci.USA, 111, 2014
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6USY
 | | COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936 | | Descriptor: | 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain | | Authors: | Weihofen, W.A, Clark, K, Nunes, S. | | Deposit date: | 2019-10-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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6VIZ
 | | BRD4_Bromodomain1 complex with pyrrolopyridone compound 27 | | Descriptor: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.391 Å) | | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
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6VIY
 | | BRD2_Bromodomain2 complex with pyrrolopyridone compound 27 | | Descriptor: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2 | | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
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6VIW
 | | BRD4_Bromodomain1 complex with pyrrolopyridone compound 18 | | Descriptor: | 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.429 Å) | | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
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6VIX
 | | BRD4_Bromodomain2 complex with pyrrolopyridone compound 18 | | Descriptor: | 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.116 Å) | | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
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8U5L
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4X66
 | | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. | | Deposit date: | 2014-12-06 | | Release date: | 2015-11-18 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.446 Å) | | Cite: | N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
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7OC8
 | | Trichoderma reesei Cel7A E212Q mutant in complex with pNPL | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | | Authors: | Haataja, T, Sandgren, M, Stahlberg, J. | | Deposit date: | 2021-04-26 | | Release date: | 2022-03-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
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7NYT
 | | Trichoderma reesei Cel7A E212Q mutant in complex with lactose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | | Authors: | Haataja, T, Sandgren, M, Stahlberg, J. | | Deposit date: | 2021-03-23 | | Release date: | 2022-03-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
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4X64
 | | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. | | Deposit date: | 2014-12-06 | | Release date: | 2015-11-18 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
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4X62
 | | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. | | Deposit date: | 2014-12-06 | | Release date: | 2015-11-18 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.4492 Å) | | Cite: | N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
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4X65
 | | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. | | Deposit date: | 2014-12-06 | | Release date: | 2015-11-18 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.345 Å) | | Cite: | N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
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6R89
 | | Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-cysteine | | Descriptor: | CHLORIDE ION, CYSTEINE, GLYCEROL, ... | | Authors: | Alfieri, A, Pederzoli, R, Costa, A. | | Deposit date: | 2019-04-01 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7OFQ
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6R88
 | | Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with glycine | | Descriptor: | CHLORIDE ION, GLYCEROL, GLYCINE, ... | | Authors: | Alfieri, A, Pederzoli, R, Costa, A. | | Deposit date: | 2019-04-01 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6R8A
 | | Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-methionine | | Descriptor: | Glutamate receptor 3.3,Glutamate receptor 3.3, METHIONINE, SODIUM ION, ... | | Authors: | Alfieri, A, Pederzoli, R, Costa, A. | | Deposit date: | 2019-04-01 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6XLI
 | | CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY PT3 Fab+pT212/pT217-TAU PEPTIDE | | Descriptor: | GLYCEROL, PT3 Fab Heavy Chain, PT3 Fab Light Chain, ... | | Authors: | Malia, T.J, Teplyakov, A, Luo, J. | | Deposit date: | 2020-06-28 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and Functional Characterization of hPT3, a Humanized Anti-Phospho Tau Selective Monoclonal Antibody.
J Alzheimers Dis, 77, 2020
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6EW9
 | | CRYSTAL STRUCTURE OF DEGS STRESS SENSOR PROTEASE IN COMPLEX WITH ACTIVATING DNRLGLVYQF PEPTIDE | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DNRLGLVYQF PEPTIDE, ... | | Authors: | Vetter, I.R, Porfetye, A.T, Stege, P. | | Deposit date: | 2017-11-03 | | Release date: | 2018-04-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of Noncatalytic Lysine Residues from Allosteric Circuits via Covalent Probes.
ACS Chem. Biol., 13, 2018
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