7W1N
| Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP | Descriptor: | 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-19 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7D6E
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7W44
| Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7W45
| Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP | Descriptor: | CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7D6D
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7WAY
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8FMZ
| Neurotensin receptor allosterism revealed in complex with a biased allosteric modulator | 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, MiniGq, ... | Authors: | Krumm, B.E, Diberto, J.F, Olsen, R.H.J, Kang, H, Slocum, S.T, Zhang, S, Strachan, R.T, Fay, J.F, Roth, B.L. | Deposit date: | 2022-12-26 | Release date: | 2023-03-29 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Neurotensin Receptor Allosterism Revealed in Complex with a Biased Allosteric Modulator. Biochemistry, 62, 2023
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7WB1
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9AME
| TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 S42G | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-24 | Release date: | 1999-04-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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9ANT
| ANTENNAPEDIA HOMEODOMAIN-DNA COMPLEX | Descriptor: | ANTENNAPEDIA HOMEODOMAIN, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | Authors: | Fraenkel, E, Pabo, C.O. | Deposit date: | 1998-07-02 | Release date: | 1998-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Comparison of X-ray and NMR structures for the Antennapedia homeodomain-DNA complex. Nat.Struct.Biol., 5, 1998
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2G1K
| Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate at 1.75 angstrom resolution | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, CHLORIDE ION, SULFATE ION, ... | Authors: | Gan, J, Gu, Y, Li, Y, Yan, H, Ji, X. | Deposit date: | 2006-02-14 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue. Biochemistry, 45, 2006
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6LY4
| The crystal structure of the BM3 mutant LG-23 in complex with testosterone | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ... | Authors: | Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T. | Deposit date: | 2020-02-13 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants. Angew.Chem.Int.Ed.Engl., 59, 2020
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5VGY
| Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ... | Authors: | Peat, T.S. | Deposit date: | 2017-04-11 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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7E1V
| Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-13 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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8XZF
| Cryo-EM structure of the WN561-bound human APLNR-Gi complex | Descriptor: | Apelin receptor, 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, ... | Authors: | Wang, W, Ji, S, Zhang, Y. | Deposit date: | 2024-01-21 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure-based design of non-hypertrophic apelin receptor modulator. Cell, 187, 2024
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7E1X
| Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7W3H
| Structure of USP14-bound human 26S proteasome in substrate-engaged state ED2.1_USP14 | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | Authors: | Zhang, S, Zou, S, Yin, D, Wu, Z, Mao, Y. | Deposit date: | 2021-11-25 | Release date: | 2022-05-04 | Last modified: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | USP14-regulated allostery of the human proteasome by time-resolved cryo-EM. Nature, 605, 2022
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7E1W
| Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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8XZJ
| Cryo-EM structure of the WN353-bound human APLNR-Gi complex | Descriptor: | Apelin receptor, 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, ... | Authors: | Wang, W, Ji, S, Zhang, Y. | Deposit date: | 2024-01-21 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure-based design of non-hypertrophic apelin receptor modulator. Cell, 187, 2024
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2NTR
| Crystal structure of Human Bace-1 bound to inhibitor | Descriptor: | (2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine, Beta-secretase 1 | Authors: | Munshi, S. | Deposit date: | 2006-11-08 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Beta-secretase (BACE-1) inhibitors: accounting for 10s loop flexibility using rigid active sites. Bioorg.Med.Chem.Lett., 17, 2007
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3NBJ
| Crystal Structure of Y305F mutant of the copper amine oxidase from Hansenula polymorpha expressed in yeast | Descriptor: | COPPER (II) ION, PHOSPHATE ION, Peroxisomal primary amine oxidase | Authors: | Chen, Z, Datta, S, DuBois, J.L, Klinman, J.P, Mathews, F.S. | Deposit date: | 2010-06-03 | Release date: | 2010-08-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mutation at a strictly conserved, active site tyrosine in the copper amine oxidase leads to uncontrolled oxygenase activity. Biochemistry, 49, 2010
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1Q44
| Crystal Structure of an Arabidopsis Thaliana Putative Steroid Sulfotransferase | Descriptor: | MALONIC ACID, Steroid Sulfotransferase | Authors: | Phillips Jr, G.N, Smith, D.W, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2003-08-01 | Release date: | 2003-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of At2g03760, a putative steroid sulfotransferase from Arabidopsis thaliana Proteins, 57, 2004
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4CM7
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | 5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CLE
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4CMB
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | ACETATE ION, N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-16 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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