3AGB
 
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5X9R
 | | Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS | | Descriptor: | CITRATE ANION, Citrate-sodium symporter, beta-D-glucopyranose | | Authors: | Jin, M.S, Kim, J.W, Kim, S, Kim, S, Lee, H, Lee, J.-O. | | Deposit date: | 2017-03-08 | | Release date: | 2017-06-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.98 Å) | | Cite: | Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
Sci Rep, 7, 2017
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3ANQ
 | | human DYRK1A/inhibitor complex | | Descriptor: | (1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Nonaka, Y, Hosoya, T, Hagiwara, M, Ito, N. | | Deposit date: | 2010-09-06 | | Release date: | 2010-11-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of a novel selective inhibitor of the Down syndrome-related kinase Dyrk1A
Nat Commun, 1, 2010
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3AOT
 | | Crystal structure of juvenile hormone binding protein from silkworm in its apo form | | Descriptor: | DI(HYDROXYETHYL)ETHER, Hemolymph juvenile hormone binding protein, TETRAETHYLENE GLYCOL, ... | | Authors: | Fujimoto, Z, Suzuki, R, Shiotsuki, T, Momma, M, Yamazaki, T. | | Deposit date: | 2010-10-06 | | Release date: | 2011-10-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural mechanism of JH delivery in hemolymph by JHBP of silkworm, Bombyx mori.
Sci Rep, 1, 2011
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3ANR
 | | human DYRK1A/harmine complex | | Descriptor: | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Nonaka, Y, Hosoya, T, Hagiwara, M, Ito, N. | | Deposit date: | 2010-09-06 | | Release date: | 2010-11-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of a novel selective inhibitor of the Down syndrome-related kinase Dyrk1A
Nat Commun, 1, 2010
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5XDS
 | | Crystal structure of Mycobacterium tuberculosis HisB bound with an inhibitor | | Descriptor: | (2S)-2-azanyl-3-(4H-1,2,4-triazol-3-yl)propanoic acid, CHLORIDE ION, Imidazoleglycerol-phosphate dehydratase, ... | | Authors: | Kumar, D, Jha, B, Ahangar, M.S, Kumar, B.B. | | Deposit date: | 2017-03-29 | | Release date: | 2018-04-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization of a triazole scaffold compound as an inhibitor of Mycobacterium tuberculosis imidazoleglycerol-phosphate dehydratase.
Proteins, 2021
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7MZY
 | | Anaplastic lymphoma kinase (ALK) extracellular fragment of ligand binding region 673-986 | | Descriptor: | ACETATE ION, ALK tyrosine kinase receptor | | Authors: | Reshetnyak, A.V, Sowaileh, M, Miller, D.J, Rossi, P, Myasnikov, A.G, Kalodimos, C.G. | | Deposit date: | 2021-05-24 | | Release date: | 2021-11-24 | | Last modified: | 2021-12-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanism for the activation of the anaplastic lymphoma kinase receptor.
Nature, 600, 2021
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8PIE
 | | Crystal structure of the human nucleoside diphosphate kinase B domain in complex with the product AT-8500 formed by catalysis of compound AT-9010 | | Descriptor: | GLYCEROL, Nucleoside diphosphate kinase B, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | | Authors: | Feracci, M, Chazot, A, Ferron, F, Alvarez, K, Canard, B. | | Deposit date: | 2023-06-21 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The activation chain of the broad-spectrum antiviral bemnifosbuvir at atomic resolution
Plos Biol., 2024
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7NIZ
 | | Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065 | | Descriptor: | 14-3-3 protein sigma, Estrogen receptor, FUSICOCCIN, ... | | Authors: | Roversi, P, Falcicchio, M, Doveston, R. | | Deposit date: | 2021-02-14 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification.
Chem Sci, 12, 2021
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3ATP
 | | Structure of the ligand binding domain of the bacterial serine chemoreceptor Tsr with ligand | | Descriptor: | Methyl-accepting chemotaxis protein I, SERINE | | Authors: | Tajima, H, Sakuma, M, Homma, K, Kawagishi, I, Imada, K. | | Deposit date: | 2011-01-07 | | Release date: | 2011-10-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ligand specificity determined by differentially arranged common ligand-binding residues in bacterial amino acid chemoreceptors Tsr and Tar.
J.Biol.Chem., 286, 2011
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7MZZ
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4BCS
 | | Crystal structure of an avidin mutant | | Descriptor: | ACETATE ION, BIOTIN, CHIMERIC AVIDIN, ... | | Authors: | Airenne, T.T, Niederhauser, B, Hytonen, V.P, Kulomaa, M.S, Johnson, M.S. | | Deposit date: | 2012-10-03 | | Release date: | 2013-10-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Novel Chimeric Avidin with Increased Thermal Stability Using DNA Shuffling.
Plos One, 9, 2014
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3APO
 | | Crystal structure of full-length ERdj5 | | Descriptor: | DnaJ homolog subfamily C member 10 | | Authors: | Inaba, K, Suzuki, M, Nagata, K. | | Deposit date: | 2010-10-20 | | Release date: | 2011-04-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of an ERAD pathway mediated by the ER-resident protein disulfide reductase ERdj5.
Mol.Cell, 41, 2011
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3ARA
 | | Discovery of Novel Uracil Derivatives as Potent Human dUTPase Inhibitors | | Descriptor: | 1-[3-({(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1H,3H)-dione, Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION | | Authors: | Chong, K.T, Miyakoshi, H, Miyahara, S, Fukuoka, M. | | Deposit date: | 2010-11-25 | | Release date: | 2010-12-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthesis and discovery of N-carbonylpyrrolidine- or N-sulfonylpyrrolidine-containing uracil derivatives as potent human deoxyuridine triphosphatase inhibitors
J.Med.Chem., 55, 2012
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7MZW
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7MXY
 | | Cryo-EM structure of PfFNT-inhibitor complex | | Descriptor: | (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter | | Authors: | Yu, E.W, Su, C, Lyu, M. | | Deposit date: | 2021-05-19 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.18 Å) | | Cite: | Structural basis of transport and inhibition of the Plasmodium falciparum transporter PfFNT
EMBO Rep, 22, 2021
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3AQA
 | | Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1 | | Descriptor: | 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2 | | Authors: | Umehara, T, Nakamura, Y, Terada, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2010-10-27 | | Release date: | 2011-05-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Real-Time Imaging of Histone H4K12-Specific Acetylation Determines the Modes of Action of Histone Deacetylase and Bromodomain Inhibitors
Chem.Biol., 18, 2011
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7NK0
 | | Structure of the BIR1 domain of cIAP2 | | Descriptor: | Baculoviral IAP repeat-containing protein 3, ZINC ION | | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Mirdita, D. | | Deposit date: | 2021-02-17 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure-based identification of a new IAP-targeting compound that induces cancer cell death inducing NF-kappa B pathway.
Comput Struct Biotechnol J, 19, 2021
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3APS
 | | Crystal structure of Trx4 domain of ERdj5 | | Descriptor: | DnaJ homolog subfamily C member 10, GLYCEROL, SULFATE ION | | Authors: | Inaba, K, Suzuki, M, Nagata, K. | | Deposit date: | 2010-10-20 | | Release date: | 2011-04-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of an ERAD pathway mediated by the ER-resident protein disulfide reductase ERdj5.
Mol.Cell, 41, 2011
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7NGE
 | | Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the closed conformation | | Descriptor: | CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Mirgaux, M, Wouters, J. | | Deposit date: | 2021-02-09 | | Release date: | 2021-12-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.
Int J Tryptophan Res, 14, 2021
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3ATR
 | | Geranylgeranyl Reductase (GGR) from Sulfolobus acidocaldarius co-crystallized with its ligand | | Descriptor: | Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, PYROPHOSPHATE, ... | | Authors: | Fujihashi, M, Sasaki, D, Iwata, Y, Yoshimura, T, Hemmi, H, Miki, K. | | Deposit date: | 2011-01-12 | | Release date: | 2011-05-04 | | Last modified: | 2013-12-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and mutation analysis of archaeal geranylgeranyl reductase
J.Mol.Biol., 409, 2011
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3AUF
 | | Crystal structure of glycinamide ribonucleotide transformylase 1 from Symbiobacterium toebii | | Descriptor: | Glycinamide ribonucleotide transformylase 1 | | Authors: | Kanagawa, M, Baba, S, Nagira, T, Kuramitsu, S, Yokoyama, S, Sampei, G, Kawai, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2011-02-03 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structures and reaction mechanisms of the two related enzymes, PurN and PurU.
J.Biochem., 154, 2013
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3AUN
 | | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR335 and a synthetic peptide containing the NR2 box of DRIP 205 | | Descriptor: | (2R)-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol, DRIP 205 NR2 box peptide, Vitamin D3 receptor | | Authors: | Kakuda, S, Takimoto-Kamimura, M. | | Deposit date: | 2011-02-10 | | Release date: | 2012-02-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Design, synthesis and X-ray crystallographic study of new nonsecosteroidal vitamin D receptor ligands
Bioorg.Med.Chem.Lett., 21, 2011
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5XNX
 | | Crystallographic structure of the enzymatically active N-terminal domain of the Rel protein from Mycobacterium tuberculosis | | Descriptor: | Bifunctional (p)ppGpp synthase/hydrolase RelA, MAGNESIUM ION | | Authors: | Singal, B, Balakrishna, A.M, Manimekalai, M.S.S, Nartey, W, Gruber, G. | | Deposit date: | 2017-05-24 | | Release date: | 2017-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Crystallographic and solution structure of the N-terminal domain of the Rel protein from Mycobacterium tuberculosis
FEBS Lett., 591, 2017
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5XTU
 | | Crystal Structure of GDSL Esterase of Photobacterium sp. J15 | | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, CALCIUM ION, ... | | Authors: | Mazlan, S.N.H.S, Jonet, M.A, Leow, T.C, Ali, M.S.M, Rahman, R.N.Z.R.A. | | Deposit date: | 2017-06-21 | | Release date: | 2018-10-10 | | Last modified: | 2018-10-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Crystallization and structure elucidation of GDSL esterase of Photobacterium sp. J15.
Int. J. Biol. Macromol., 119, 2018
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