3TFP
 
 | | Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162 | | Descriptor: | 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E. | | Deposit date: | 2011-08-16 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
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3TFV
 | | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154 | | Descriptor: | 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2011-08-16 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
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8WST
 | | Cryo-EM structure of Melanin-Concentrating Hormone Receptor 2 with MCH | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha-1, ... | | Authors: | Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C. | | Deposit date: | 2023-10-17 | | Release date: | 2024-06-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors.
Cell Discov, 10, 2024
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8WSS
 | | Cryo-EM structure of Melanin-Concentrating Hormone Receptor 1 with MCH | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C. | | Deposit date: | 2023-10-17 | | Release date: | 2024-06-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors.
Cell Discov, 10, 2024
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3ZKJ
 | | Crystal Structure of Ankyrin Repeat and Socs Box-Containing Protein 9 (Asb9) in Complex with Elonginb and Elonginc | | Descriptor: | 1,2-ETHANEDIOL, ANKYRIN REPEAT AND SOCS BOX PROTEIN 9, CHLORIDE ION, ... | | Authors: | Muniz, J.R.C, Guo, K, Zhang, Y, Ayinampudi, V, Savitsky, P, Keates, T, Filippakopoulos, P, Vollmar, M, Yue, W.W, Krojer, T, Ugochukwu, E, von Delft, F, Knapp, S, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2013-01-23 | | Release date: | 2013-01-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Molecular Architecture of the Ankyrin Socs Box Family of Cul5-Dependent E3 Ubiquitin Ligases
J.Mol.Biol., 425, 2013
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8K14
 | | X-ray crystal structure of 18a in BRD4(1) | | Descriptor: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | | Authors: | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | | Deposit date: | 2023-07-10 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.
Eur.J.Med.Chem., 263, 2024
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3T14
 | | Crystal structure of sulfide:quinone oxidoreductase Cys128Ala variant from Acidithiobacillus ferrooxidans with bound disulfide | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, ... | | Authors: | Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H. | | Deposit date: | 2011-07-21 | | Release date: | 2012-05-16 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
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3QH6
 | | 1.8A resolution structure of CT296 from Chlamydia trachomatis | | Descriptor: | CT296, TETRAETHYLENE GLYCOL | | Authors: | Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Zhang, Y, Hefty, P.S. | | Deposit date: | 2011-01-25 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ab initio structural modeling of and experimental validation for Chlamydia trachomatis protein CT296 reveal structural similarity to Fe(II) 2-oxoglutarate-dependent enzymes.
J.Bacteriol., 193, 2011
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3UAZ
 | | Crystal structure of Bacillus cereus adenosine phosphorylase D204N mutant complexed with inosine | | Descriptor: | GLYCEROL, INOSINE, Purine nucleoside phosphorylase deoD-type, ... | | Authors: | Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E. | | Deposit date: | 2011-10-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
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4APC
 | | Crystal Structure of Human NIMA-related Kinase 1 (NEK1) | | Descriptor: | CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1 | | Authors: | Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2012-04-02 | | Release date: | 2012-04-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
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4AGU
 | | CRYSTAL STRUCTURE OF THE HUMAN CDKL1 KINASE DOMAIN | | Descriptor: | CYCLIN-DEPENDENT KINASE-LIKE 1, N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | | Authors: | Canning, P, Sharpe, T.D, Allerston, C, Savitsky, P, Pike, A.C.W, Muniz, J.R.C, Chaikuad, A, Kuo, K, Burgess-Brown, N, Ayinampudi, V, Zhang, Y, Thangaratnarajah, C, Ugochukwu, E, Vollmar, M, Krojer, T, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Knapp, S, Bullock, A. | | Deposit date: | 2012-01-31 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
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3SYI
 | | Crystal structure of sulfide:quinone oxidoreductase Ser126Ala variant from Acidithiobacillus ferrooxidans using 7.0 keV diffraction data | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, ... | | Authors: | Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H. | | Deposit date: | 2011-07-17 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2001 Å) | | Cite: | Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
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3SZF
 | | Crystal structure of sulfide:quinone oxidoreductase H198A variant from Acidithiobacillus ferrooxidans in complex with bound trisulfide and decylubiquinone | | Descriptor: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H. | | Deposit date: | 2011-07-18 | | Release date: | 2012-05-16 | | Last modified: | 2014-05-07 | | Method: | X-RAY DIFFRACTION (2.0994 Å) | | Cite: | Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
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3SZW
 | | Crystal structure of sulfide:quinone oxidoreductase Cys128Ser variant from Acidithiobacillus ferrooxidans in complex with decylubiquinone | | Descriptor: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H. | | Deposit date: | 2011-07-19 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
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3SX6
 | | Crystal structure of sulfide:quinone oxidoreductase Cys356Ala variant from Acidithiobacillus ferrooxidans complexed with decylubiquinone | | Descriptor: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H. | | Deposit date: | 2011-07-14 | | Release date: | 2012-05-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7955 Å) | | Cite: | Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
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3UAY
 | | Crystal structure of Bacillus cereus adenosine phosphorylase D204N mutant complexed with adenosine | | Descriptor: | ADENOSINE, GLYCEROL, Purine nucleoside phosphorylase deoD-type, ... | | Authors: | Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E. | | Deposit date: | 2011-10-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
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3UAW
 | | Crystal structure of adenosine phosphorylase from Bacillus cereus complexed with adenosine | | Descriptor: | ADENOSINE, GLYCEROL, Purine nucleoside phosphorylase deoD-type, ... | | Authors: | Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E. | | Deposit date: | 2011-10-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
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3TKJ
 | | Crystal Structure of Human Asparaginase-like Protein 1 Thr168Ala | | Descriptor: | L-asparaginase, SODIUM ION, SULFATE ION, ... | | Authors: | Li, W.Z, Yogesha, S.D, Liu, J, Zhang, Y. | | Deposit date: | 2011-08-26 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Uncoupling Intramolecular Processing and Substrate Hydrolysis in the N-Terminal Nucleophile Hydrolase hASRGL1 by Circular Permutation.
Acs Chem.Biol., 7, 2012
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4B9D
 | | Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1, ... | | Authors: | Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Canning, P, von Delft, F, Raynor, J, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2012-09-04 | | Release date: | 2012-09-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
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3UAV
 | | Crystal structure of adenosine phosphorylase from Bacillus cereus | | Descriptor: | GLYCEROL, Purine nucleoside phosphorylase deoD-type, SULFATE ION | | Authors: | Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E. | | Deposit date: | 2011-10-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
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3UAX
 | | Crystal structure of adenosine phosphorylase from Bacillus cereus complexed with inosine | | Descriptor: | GLYCEROL, INOSINE, Purine nucleoside phosphorylase deoD-type, ... | | Authors: | Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E. | | Deposit date: | 2011-10-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
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8HNB
 | | Cryo-EM structure of human OATP1B1 in apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1 | | Authors: | Shan, Z, Yang, X, Zhang, Y. | | Deposit date: | 2022-12-07 | | Release date: | 2023-09-13 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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8HNH
 | | Cryo-EM structure of human OATP1B1 in complex with simeprevir | | Descriptor: | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shan, Z, Yang, X, Zhang, Y. | | Deposit date: | 2022-12-07 | | Release date: | 2023-09-13 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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8HND
 | | Cryo-EM structure of human OATP1B1 in complex with estrone-3-sulfate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1, ... | | Authors: | Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y. | | Deposit date: | 2022-12-07 | | Release date: | 2023-09-13 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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7V9G
 | | Native BEN4 domain of protein Bend3 with DNA | | Descriptor: | BEN domain-containing protein 3, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*CP*CP*CP*CP*AP*CP*GP*CP*GP*GP*TP*GP*C)-3') | | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | | Deposit date: | 2021-08-25 | | Release date: | 2022-02-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation.
Science, 375, 2022
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