8HVS
 
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8I8F
 
 | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1 | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION | Authors: | Shi, X, Liu, W. | Deposit date: | 2023-02-04 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
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7MF1
 
 | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 47D1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 47D1 Fab heavy chain, ... | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | Deposit date: | 2021-04-08 | Release date: | 2021-05-12 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Diverse immunoglobulin gene usage and convergent epitope targeting in neutralizing antibody responses to SARS-CoV-2. Cell Rep, 35, 2021
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6LRM
 
 | Crystal structure of PDE4D catalytic domain in complex with arctigenin | Descriptor: | 1,2-ETHANEDIOL, Arctigenin, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation. J Adv Res, 33, 2021
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5XIW
 
 | Crystal structure of T2R-TTL-Colchicine complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Y, Yang, J, Wang, T, Chen, L. | Deposit date: | 2017-04-27 | Release date: | 2018-04-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin. J. Biol. Chem., 2018
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5YL2
 
 | Crystal structure of T2R-TTL-Y28 complex | Descriptor: | (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yang, J.H, Yang, T, Wen, J.L, Chen, L.J. | Deposit date: | 2017-10-16 | Release date: | 2018-04-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin. J. Biol. Chem., 2018
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6AIB
 
 | Crystal structures of the N-terminal RecA-like domain 1 of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA | Descriptor: | DEAD-box ATP-dependent RNA helicase CshA | Authors: | Chengliang, W, Tian, T, Xiaobao, C, Xuan, Z, Jianye, Z. | Deposit date: | 2018-08-22 | Release date: | 2018-11-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP Acta Crystallogr F Struct Biol Commun, 74, 2018
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6AIC
 
 | Crystal structures of the N-terminal domain of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, DEAD-box ATP-dependent RNA helicase CshA | Authors: | Tian, T, Chengliang, W, Xiaobao, C, Xuan, Z, Jianye, Z. | Deposit date: | 2018-08-22 | Release date: | 2018-11-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP Acta Crystallogr F Struct Biol Commun, 74, 2018
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2NSU
 
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8WA8
 
 | Human transketolase in complex with phosphite | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PHOSPHITE ION, ... | Authors: | Liu, Z, Tittmann, K, Dai, S. | Deposit date: | 2023-09-07 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis Acs Catalysis, 14, 2024
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8WA9
 
 | Human transketolase soaked with donor ketose D-fructose | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ... | Authors: | Liu, Z, Tittmann, K, Dai, S. | Deposit date: | 2023-09-07 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis Acs Catalysis, 14, 2024
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8WA7
 
 | E.coli transketolase soaked with donor ketose D-fructose | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, ... | Authors: | Liu, Z, Dai, S, Tittmann, K. | Deposit date: | 2023-09-07 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis Acs Catalysis, 14, 2024
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8WAA
 
 | Human transketolase soaked with donor ketose D-xylulose | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ... | Authors: | Liu, Z, Dai, S, Tittmann, K. | Deposit date: | 2023-09-07 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis Acs Catalysis, 14, 2024
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8GPD
 
 | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin V | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, POTASSIUM ION, ... | Authors: | Shi, X, Dai, Y, Zhang, Q, Liu, W. | Deposit date: | 2022-08-26 | Release date: | 2023-08-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
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8GPC
 
 | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, SODIUM ION, ... | Authors: | Shi, X, Dai, Y, Zhang, Q, Liu, W. | Deposit date: | 2022-08-26 | Release date: | 2023-08-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
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8GPE
 
 | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin G | Descriptor: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, POTASSIUM ION, ... | Authors: | Shi, X, Dai, Y, Zhang, Q, Liu, W. | Deposit date: | 2022-08-26 | Release date: | 2023-08-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
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2B6B
 
 | Cryo EM structure of Dengue complexed with CRD of DC-SIGN | Descriptor: | CD209 antigen, envelope glycoprotein | Authors: | Pokidysheva, E, Zhang, Y, Battisti, A.J, Bator-Kelly, C.M, Chipman, P.R, Gregorio, G, Hendrickson, W.A, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2005-09-30 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Cryo-EM reconstruction of dengue virus in complex with the carbohydrate recognition domain of DC-SIGN Cell(Cambridge,Mass.), 124, 2006
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8X4Q
 
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8X4S
 
 | The L-tryptophan specific decarboxylase PsiD covalent bonding with tryptamine | Descriptor: | (2~{R})-2-[2-(1~{H}-indol-3-yl)ethylamino]propanoic acid, L-tryptophan decarboxylase | Authors: | Meng, C.Y, Wen, Y, Guo, W.T, Wu, B.X. | Deposit date: | 2023-11-15 | Release date: | 2024-11-20 | Last modified: | 2025-04-02 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for psilocybin biosynthesis. Nat Commun, 16, 2025
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8ZIO
 
 | Crystal structure of the methyltransferase PsiM in complex with SAH and Psilocybin | Descriptor: | GLYCEROL, Psilocybin, Psilocybin synthase, ... | Authors: | Meng, C.Y, Wen, Y, Guo, W.T, Wu, B.X. | Deposit date: | 2024-05-14 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis for psilocybin biosynthesis. Nat Commun, 16, 2025
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8ZIH
 
 | Crystal structure of the methyltransferase PsiM in complex with SAH | Descriptor: | Psilocybin synthase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Meng, C.Y, Wen, Y, Guo, W.T, Wu, B.X. | Deposit date: | 2024-05-14 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural basis for psilocybin biosynthesis. Nat Commun, 16, 2025
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8ZIG
 
 | Crystal structure of the methyltransferase PsiM in complex with s-adenosylmethionine (SAM) | Descriptor: | Psilocybin synthase, S-ADENOSYLMETHIONINE | Authors: | Meng, C.Y, Wen, Y, Guo, W.T, Wu, B.X. | Deposit date: | 2024-05-13 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural basis for psilocybin biosynthesis. Nat Commun, 16, 2025
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8ZIC
 
 | Structure complex of 4-hydroxytryptamine kinase PsiK complexed with Mg2+ and Tryptamine | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, 4-hydroxytryptamine kinase, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Meng, C.Y, Wen, Y, Guo, W.T, Wu, B.X. | Deposit date: | 2024-05-13 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural basis for psilocybin biosynthesis. Nat Commun, 16, 2025
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8ZII
 
 | Crystal structure of the methyltransferase PsiM in complex with SAH and Norbaeocystin | Descriptor: | Norbaeocystin, Psilocybin synthase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Meng, C.Y, Wen, Y, Guo, W.T, Wu, B.X. | Deposit date: | 2024-05-14 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for psilocybin biosynthesis. Nat Commun, 16, 2025
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8ZIA
 
 | The L-tryptophan specific decarboxylase PsiD(50-439) in complex with tryptamine | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, L-tryptophan decarboxylase | Authors: | Meng, C.Y, Wen, Y, Guo, W.T, Wu, B.X. | Deposit date: | 2024-05-13 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for psilocybin biosynthesis. Nat Commun, 16, 2025
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