6ACR
 
 | | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 | | Descriptor: | Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION | | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | | Deposit date: | 2018-07-27 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H).
Chem. Pharm. Bull., 67, 2019
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4UV7
 | | The complex structure of extracellular domain of EGFR and GC1118A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EPIDERMAL GROWTH FACTOR RECEPTOR, ... | | Authors: | Yoo, J.H, Cho, H.S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Gc1118, an Anti-Egfr Antibody with a Distinct Binding Epitope and Superior Inhibitory Activity Against High-Affinity Egfr Ligands.
Mol.Cancer Ther., 15, 2016
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4B18
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2RVC
 | | Solution structure of Zalpha domain of goldfish ZBP-containing protein kinase | | Descriptor: | Interferon-inducible and double-stranded-dependent eIF-2kinase | | Authors: | Lee, A, Park, C, Park, J, Kwon, M, Choi, Y, Kim, K, Choi, B, Lee, J. | | Deposit date: | 2015-07-08 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Z-DNA binding domain of PKR-like protein kinase from Carassius auratus and quantitative analyses of the intermediate complex during B-Z transition.
Nucleic Acids Res., 44, 2016
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8S9Q
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5Z9H
 | | Crystal structure of KAI2_ply2(A219V) | | Descriptor: | Probable esterase KAI2 | | Authors: | Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S. | | Deposit date: | 2018-02-03 | | Release date: | 2018-08-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana.
J. Exp. Bot., 69, 2018
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5I3F
 | | Structure-Function Studies on Role of Hydrophobic Clamping of a Basic Glutamate in Catalysis by Triosephosphate Isomerase | | Descriptor: | Triosephosphate isomerase, glycosomal | | Authors: | Drake, E.J, Gulick, A.M, Richard, J.P, Zhai, X, Kim, K, Reinhardt, C.J. | | Deposit date: | 2016-02-10 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure-Function Studies of Hydrophobic Residues That Clamp a Basic Glutamate Side Chain during Catalysis by Triosephosphate Isomerase.
Biochemistry, 55, 2016
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5I3H
 | | Structure-Function Studies on Role of Hydrophobic Clamping of a Basic Glutamate in Catalysis by Triosephosphate Isomerase | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, POTASSIUM ION, Triosephosphate isomerase, ... | | Authors: | Drake, E.J, Gulick, A.M, Richard, J.P, Zhai, X, Kim, K, Reinhardt, C.J. | | Deposit date: | 2016-02-10 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Function Studies of Hydrophobic Residues That Clamp a Basic Glutamate Side Chain during Catalysis by Triosephosphate Isomerase.
Biochemistry, 55, 2016
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8A1Q
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir) | | Descriptor: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ... | | Authors: | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | Deposit date: | 2022-06-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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8A1P
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D | | Descriptor: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | Deposit date: | 2022-06-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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4WVU
 | | CRYSTAL STRUCTURE OF XIAP-BIR2 DOMAIN COMPLEXED WITH LIGAND BOUND | | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ... | | Authors: | Pokross, M.E. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
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6Q0D
 | | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | | Authors: | Dranow, D.M, Davies, D.R. | | Deposit date: | 2019-08-01 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
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6Q13
 | | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ... | | Authors: | Davies, D.R, Dranow, D.M. | | Deposit date: | 2019-08-02 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
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4WVT
 | | Crystal structure of XIAP-BIR2 domain complexed with ligand bound | | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Pokross, M.E. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-04 | | Last modified: | 2015-04-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
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3CTJ
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2WL3
 | | crystal structure of catechol 2,3-dioxygenase | | Descriptor: | CALCIUM ION, CATECHOL 2,3-DIOXYGENASE, FE (III) ION, ... | | Authors: | Cho, H.J, Kim, K.J, Kang, B.S. | | Deposit date: | 2009-06-21 | | Release date: | 2010-09-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Substrate-Binding Mechanism of a Type I Extradiol Dioxygenase.
J.Biol.Chem., 285, 2010
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2WL9
 | | Crystal structure of catechol 2,3-dioxygenase | | Descriptor: | 3-METHYLCATECHOL, CATECHOL 2,3-DIOXYGENASE, FE (III) ION, ... | | Authors: | Cho, H.J, Kim, K.J, Kang, B.S. | | Deposit date: | 2009-06-23 | | Release date: | 2010-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Substrate-Binding Mechanism of a Type I Extradiol Dioxygenase.
J.Biol.Chem., 285, 2010
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6KIE
 | | Crystal structure of human leucyl-tRNA synthetase, Leu-AMS-bound form | | Descriptor: | 5'-O-(L-leucylsulfamoyl)adenosine, LEUCINE, Leucine--tRNA ligase, ... | | Authors: | Kim, S, Son, J, Kim, S, Hwang, K.Y. | | Deposit date: | 2019-07-18 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Leucine-sensing mechanism of leucyl-tRNA synthetase 1 for mTORC1 activation.
Cell Rep, 35, 2021
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6ICI
 | | Crystal structure of human MICAL3 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, [F-actin]-monooxygenase MICAL3 | | Authors: | Hwang, K.Y, Kim, J.S. | | Deposit date: | 2018-09-06 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and kinetic insights into flavin-containing monooxygenase and calponin-homology domains in human MICAL3.
Iucrj, 7, 2020
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8W77
 | | Human Consensus Olfactory Receptor OR52c in apo state, OR52c only | | Descriptor: | Human Consensus Olfactory Receptor OR52c in apo state, receptor only,Soluble cytochrome b562 | | Authors: | Choi, C.W, Bae, J, Choi, H.-J, Kim, J. | | Deposit date: | 2023-08-30 | | Release date: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.61 Å) | | Cite: | Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
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7EXW
 | | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with alpha-L-arabinofuranosylamide | | Descriptor: | 2-bromanyl-N-[(2R,3R,4R,5S}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | | Authors: | Sawano, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Substrate complex structure, active site labeling and catalytic role of the zinc ion in cysteine glycosidase.
Glycobiology, 32, 2022
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7EXU
 | | GH127 beta-L-arabinofuranosidase HypBA1 E322Q mutant complexed with p-nitrophenyl beta-L-arabinofuranoside | | Descriptor: | (2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | | Authors: | Maruyama, S, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Substrate complex structure, active site labeling and catalytic role of the zinc ion in cysteine glycosidase.
Glycobiology, 32, 2022
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7EXV
 | | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranoylamide | | Descriptor: | 2-bromanyl-N-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | | Authors: | Sawano, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Substrate complex structure, active site labeling and catalytic role of the zinc ion in cysteine glycosidase.
Glycobiology, 32, 2022
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8R3Z
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7F1W
 | | X-ray crystal structure of visual arrestin complexed with inositol hexaphosphate | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, S-arrestin | | Authors: | Kang, M, Jang, K, Eger, B.T, Ernst, O.P, Choe, H.W, Kim, Y.J. | | Deposit date: | 2021-06-10 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.097 Å) | | Cite: | Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
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