8J9B
 
 | | LnaB-actin binary complex | | Descriptor: | Actin gamma 1, Type IV secretion protein Dot | | Authors: | Chen, T.T, Ouyang, S.Y. | | Deposit date: | 2023-05-03 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Structure of Legionella effector LnaB-actin binary complex
To Be Published
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8GWH
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8GEM
 | | Crystal structure of human cellular retinol binding protein 1 in complex with N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethanamine | | Descriptor: | N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine, Retinol-binding protein 1 | | Authors: | Plau, J, Golczak, M. | | Deposit date: | 2023-03-07 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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5JBA
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8GDM
 | | Crystal structure of human cellular retinol binding protein 1 in complex with {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)[1-(thiophen-2-yl)ethyl]amine | | Descriptor: | (1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine, Retinol-binding protein 1 | | Authors: | Plau, J, Golczak, M. | | Deposit date: | 2023-03-06 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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8JKA
 | | SP1746 in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, FE (III) ION, SULFATE ION, ... | | Authors: | Jin, Y, Niu, L, Ke, J. | | Deposit date: | 2023-06-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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5JBK
 | | Trichoderma harzianum GH1 beta-glucosidase ThBgl1 | | Descriptor: | Beta-glucosidase, GLYCEROL | | Authors: | Florindo, R.N, Mutti, H.S, Polikarpov, I, Nascimento, A.S. | | Deposit date: | 2016-04-13 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.593 Å) | | Cite: | Structural insights into beta-glucosidase transglycosylation based on biochemical, structural and computational analysis of two GH1 enzymes from Trichoderma harzianum.
N Biotechnol, 40, 2018
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8JK5
 | | Crystal structure of SP1746 from Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | | Descriptor: | FE (III) ION, GLYCEROL, SULFATE ION, ... | | Authors: | Jin, Y, Niu, L, Ke, J. | | Deposit date: | 2023-05-31 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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8GKR
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8JNW
 | | PfDXR - Mn2+ - NADPH - MAMK89 quaternary complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | | Deposit date: | 2023-06-08 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
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8GLI
 | | Crystal Structure of Human CD1b in Complex with Mycobacterial C85-GMM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose, Beta-2-microglobulin, ... | | Authors: | Balaji, G, Rossjohn, J, Shahine, A. | | Deposit date: | 2023-03-22 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
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5JNW
 | | Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with vanadate and uncompetitive inhibitor | | Descriptor: | 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile, Low molecular weight phosphotyrosine protein phosphatase, VANADATE ION | | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | | Deposit date: | 2016-04-30 | | Release date: | 2017-03-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
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8JNV
 | | PfDXR - Mn2+ - MAMK89 ternary complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | | Deposit date: | 2023-06-06 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
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5JCG
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8J9T
 | | Crystal Structure of GyraseA N-terminal at 2.43A Resolution | | Descriptor: | CARBONATE ION, DNA gyrase subunit A | | Authors: | Salman, M, Sachdeva, E, Das, U, Singh, T.P, Ethayathullah, A.S, Kaur, P. | | Deposit date: | 2023-05-04 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.428 Å) | | Cite: | Crystal Structure of GyraseA N-terminal at 2.43A Resolution
to be published
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8GLH
 | | Crystal Structure of Human CD1b in Complex with Endogenous PC C40:5 | | Descriptor: | (11E)-hexadec-11-enoic acid, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | Authors: | Farquhar, R, Rossjohn, J, Shahine, A. | | Deposit date: | 2023-03-22 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
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8G96
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8JFX
 | | TruB domain of TruB1 | | Descriptor: | BROMIDE ION, Pseudouridylate synthase TRUB1 | | Authors: | Xuan, Y.M, Gong, Q.G. | | Deposit date: | 2023-05-19 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of pri-let-7 recognition by human pseudouridine synthase TruB1
To Be Published
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8JJK
 | | SP1746 in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, GLYCEROL, ... | | Authors: | Jin, Y, Niu, L, Ke, J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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5IUB
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12x at 2.1A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | Authors: | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | | Deposit date: | 2016-03-17 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
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8JK9
 | | SP1746 in complex with GDP | | Descriptor: | FE (III) ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Jin, Y, Ke, J, Niu, L. | | Deposit date: | 2023-06-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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5IUM
 | | Crystal structure of phosphorylated DesKC | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Trajtenberg, F, Buschiazzo, A. | | Deposit date: | 2016-03-18 | | Release date: | 2016-12-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.162 Å) | | Cite: | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action.
Elife, 5, 2016
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5JD7
 | | PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with PET-cGMP | | Descriptor: | 3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one, cGMP-dependent protein kinase 1 | | Authors: | Campbell, J.C, Sankaran, B, Kim, C.W. | | Deposit date: | 2016-04-15 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
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8GVV
 | | PTPN21 PTP domain C1108S mutant | | Descriptor: | IODIDE ION, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 21 | | Authors: | Chen, L, Zheng, Y.Y, Zhou, C. | | Deposit date: | 2022-09-15 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
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8GXE
 | | PTPN21 FERM PTP complex | | Descriptor: | CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 21 | | Authors: | Chen, L, Zheng, Y.Y, Zhou, C. | | Deposit date: | 2022-09-19 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
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