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8HVS
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BU of 8hvs by Molmil
Solution Structure of the Antimicrobial Peptide HT-2
Descriptor: ARG-PHE-LEU-ARG-ARG-ILE-PHE-PHE-PHE-PHE
Authors:Li, S, Yang, A.
Deposit date:2022-12-27
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and evaluation of tadpole-like conformational antimicrobial peptides.
Commun Biol, 6, 2023
8I8F
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BU of 8i8f by Molmil
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
7MF1
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BU of 7mf1 by Molmil
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
6LRM
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BU of 6lrm by Molmil
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
5XIW
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BU of 5xiw by Molmil
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
5YL2
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BU of 5yl2 by Molmil
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
6AIB
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BU of 6aib by Molmil
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
6AIC
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BU of 6aic by Molmil
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
2NSU
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BU of 2nsu by Molmil
Crystal structure of the ectodomain of human transferrin receptor fitted into a cryo-EM reconstruction of canine parvovirus and feline transferrin receptor complex
Descriptor: Transferrin receptor protein 1
Authors:Hafenstein, S, Kostyuchenko, V.A, Rossmann, M.G.
Deposit date:2006-11-06
Release date:2007-03-27
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (27 Å)
Cite:Asymmetric binding of transferrin receptor to parvovirus capsids.
Proc.Natl.Acad.Sci.Usa, 104, 2007
8WA8
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BU of 8wa8 by Molmil
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
8WA9
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BU of 8wa9 by Molmil
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
8WA7
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BU of 8wa7 by Molmil
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
8WAA
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BU of 8waa by Molmil
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
8GPD
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BU of 8gpd by Molmil
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
8GPC
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BU of 8gpc by Molmil
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
8GPE
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BU of 8gpe by Molmil
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
2B6B
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BU of 2b6b by Molmil
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
8X4Q
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BU of 8x4q by Molmil
Apo structure of L-tryptophan specific decarboxylase PsiD
Descriptor: 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 (2.55 Å)
Cite:Structural basis for psilocybin biosynthesis.
Nat Commun, 16, 2025
8X4S
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BU of 8x4s by Molmil
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
8ZIO
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BU of 8zio by Molmil
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
8ZIH
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BU of 8zih by Molmil
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
8ZIG
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BU of 8zig by Molmil
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
8ZIC
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BU of 8zic by Molmil
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
8ZII
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BU of 8zii by Molmil
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
8ZIA
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BU of 8zia by Molmil
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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數據於2025-07-09公開中

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