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9AUM
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BU of 9aum by Molmil
Structure of SARS-CoV-2 Mpro mutant (T21I,S144A,T304I) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUK
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BU of 9auk by Molmil
Structure of SARS-CoV-2 Mpro mutant (A173V) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUO
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BU of 9auo by Molmil
Structure of SARS-CoV-2 Mpro mutant (L50F,T304I)
Descriptor: 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.423 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUN
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BU of 9aun by Molmil
Structure of SARS-CoV-2 Mpro mutant (T21I,T304I)
Descriptor: 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
1AJ4
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BU of 1aj4 by Molmil
STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 1 STRUCTURE
Descriptor: CALCIUM ION, TROPONIN C
Authors:Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D.
Deposit date:1997-05-14
Release date:1998-05-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain.
J.Biol.Chem., 272, 1997
9AUL
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BU of 9aul by Molmil
Structure of SARS-CoV-2 Mpro mutant (A173V,T304I)) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.421 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
6IRD
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BU of 6ird by Molmil
Complex structure of INADL PDZ89 and PLCb4 C-terminal CC-PBM
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, GOLD ION, InaD-like protein
Authors:Ye, F, Li, J, Huang, Y, Liu, W, Zhang, M.
Deposit date:2018-11-12
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
6IRE
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BU of 6ire by Molmil
Complex structure of INAD PDZ45 and NORPA CC-PBM
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, Inactivation-no-after-potential D protein
Authors:Ye, F, Li, J, Deng, X, Liu, W, Zhang, M.
Deposit date:2018-11-12
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
8EF5
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BU of 8ef5 by Molmil
Fentanyl-bound mu-opioid receptor-Gi complex
Descriptor: CHOLESTEROL, 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:Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
Deposit date:2022-09-08
Release date:2022-11-09
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EF6
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BU of 8ef6 by Molmil
Morphine-bound mu-opioid receptor-Gi complex
Descriptor: (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
Deposit date:2022-09-08
Release date:2022-11-09
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFB
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BU of 8efb by Molmil
Oliceridine-bound mu-opioid receptor-Gi complex
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:Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
Deposit date:2022-09-08
Release date:2022-11-09
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFO
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BU of 8efo by Molmil
PZM21-bound mu-opioid receptor-Gi complex
Descriptor: CHOLESTEROL, 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:Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
Deposit date:2022-09-08
Release date:2022-11-09
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFL
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BU of 8efl by Molmil
SR17018-bound mu-opioid receptor-Gi complex
Descriptor: 5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
Deposit date:2022-09-08
Release date:2022-11-09
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFQ
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BU of 8efq by Molmil
DAMGO-bound mu-opioid receptor-Gi complex
Descriptor: DAMGO, ETHANOLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
Deposit date:2022-09-08
Release date:2022-11-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8AZS
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BU of 8azs by Molmil
Type I amyloid-beta 42 filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | ABeta42
Descriptor: Amyloid-beta precursor protein
Authors:Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S.
Deposit date:2022-09-06
Release date:2022-11-02
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains.
Neuron, 111, 2023
8AZU
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BU of 8azu by Molmil
Paired helical tau filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | PHF Tau
Descriptor: Microtubule-associated protein tau
Authors:Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S.
Deposit date:2022-09-06
Release date:2023-05-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains.
Neuron, 111, 2023
4QWP
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BU of 4qwp by Molmil
co-crystal structure of chitosanase OU01 with substrate
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Lyu, Q, Liu, W, Han, B.
Deposit date:2014-07-17
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and biochemical insights into the degradation mechanism of chitosan by chitosanase OU01.
Biochim.Biophys.Acta, 1850, 2015
8HK0
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BU of 8hk0 by Molmil
Crystal structure of Fic32-33 complex from Streptomyces ficellus NRRL 8067
Descriptor: Acyl-CoA dehydrogenase, Dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cheng, Y, Qiao, H, Liu, W, Fang, P.
Deposit date:2022-11-24
Release date:2023-04-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Oxidase Heterotetramer Completes 1-Azabicyclo[3.1.0]hexane Formation with the Association of a Nonribosomal Peptide Synthetase.
J.Am.Chem.Soc., 145, 2023
8HK5
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BU of 8hk5 by Molmil
C5aR1-Gi-C5a protein complex
Descriptor: C5a anaphylatoxin chemotactic receptor 1, Complement C5, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK3
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BU of 8hk3 by Molmil
C3aR-Gi-apo protein complex
Descriptor: C3a anaphylatoxin chemotactic 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, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK2
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BU of 8hk2 by Molmil
C3aR-Gi-C3a protein complex
Descriptor: C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ...
Authors:Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
4RL2
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BU of 4rl2 by Molmil
Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
Descriptor: (1R)-2-({(R)-carboxy[(2R,5S)-4-carboxy-5-methyl-5,6-dihydro-2H-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium, Beta-lactamase NDM-1, ZINC ION
Authors:Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W.
Deposit date:2014-10-15
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014
4RM5
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BU of 4rm5 by Molmil
Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
Descriptor: Beta-lactamase NDM-1, ZINC ION
Authors:Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W.
Deposit date:2014-10-19
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014
4RL0
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BU of 4rl0 by Molmil
Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
Descriptor: (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase NDM-1, ZINC ION
Authors:Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W.
Deposit date:2014-10-14
Release date:2014-11-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014
4ZA1
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BU of 4za1 by Molmil
Crystal Structure of NosA Involved in Nosiheptide Biosynthesis
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, NosA
Authors:Liu, S, Guo, H, Zhang, T, Han, L, Yao, P, Zhang, Y, Rong, N, Yu, Y, Lan, W, Wang, C, Ding, J, Wang, R, Liu, W, Cao, C.
Deposit date:2015-04-13
Release date:2015-08-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based Mechanistic Insights into Terminal Amide Synthase in Nosiheptide-Represented Thiopeptides Biosynthesis
Sci Rep, 5, 2015

223532

数据于2024-08-07公开中

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