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6B4L
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BU of 6b4l by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
Descriptor: 3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Judge, R.A, Souers, A.J.
Deposit date:2017-09-26
Release date:2017-10-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
7UJA
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BU of 7uja by Molmil
Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ...
Authors:Lees, J.A, Ammirati, M, Han, S.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
7DTZ
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BU of 7dtz by Molmil
FGFR4 complex with a covalent inhibitor
Descriptor: Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION
Authors:Chen, X.J, Dai, S.Y, Chen, Y.H.
Deposit date:2021-01-07
Release date:2021-04-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7UJ3
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BU of 7uj3 by Molmil
Crystal structure of Human respiratory syncytial virus F variant (construct pXCS847A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RSV variant (construct pXCS847A) F1, RSV variant (construct pXCS847A) F2, ...
Authors:Han, S, Ammirati, M.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
7FDK
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BU of 7fdk by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to mACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDH
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BU of 7fdh by Molmil
SARS-COV-2 Spike RBDMACSp25 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDI
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BU of 7fdi by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDG
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BU of 7fdg by Molmil
SARS-COV-2 Spike RBDMACSp6 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7VJL
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BU of 7vjl by Molmil
The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
Descriptor: Fibroblast growth factor receptor 4, N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2021-09-28
Release date:2022-02-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.900173 Å)
Cite:Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design.
Bioorg.Med.Chem., 50, 2021
7XAF
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BU of 7xaf by Molmil
The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide
Descriptor: 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-03-17
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.001182 Å)
Cite:Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
6KTC
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BU of 6ktc by Molmil
Crystal structure of YBX1 CSD with m5C RNA
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*(5MC)P*CP*U)-3')
Authors:Zou, F, Li, S.
Deposit date:2019-08-27
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KUG
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BU of 6kug by Molmil
Crystal structure of YBX1 CSD with RNA
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*CP*CP*U)-3')
Authors:Zou, F, Li, S.
Deposit date:2019-09-02
Release date:2020-02-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
7C2L
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BU of 7c2l by Molmil
S protein of SARS-CoV-2 in complex bound with 4A8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
Deposit date:2020-05-08
Release date:2020-07-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
8KH5
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BU of 8kh5 by Molmil
Cryo-EM structure of the GPR174-Gs complex bound to endogenous lysoPS
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:Nie, Y, Qiu, Z, Zheng, S, Chen, S.
Deposit date:2023-08-21
Release date:2023-10-18
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
8KGK
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BU of 8kgk by Molmil
Cryo-EM structure of the GPR61-Gs complex
Descriptor: G-protein coupled receptor 61, 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:Nie, Y, Qiu, Z, Zheng, S.
Deposit date:2023-08-19
Release date:2023-10-11
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
8KH4
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BU of 8kh4 by Molmil
Cryo-EM structure of the GPR161-Gs complex
Descriptor: CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Nie, Y, Qiu, Z, Zheng, S, Chen, S.
Deposit date:2023-08-21
Release date:2023-10-11
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
7YUK
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BU of 7yuk by Molmil
Complex structure of BANP BEN domain bound to DNA
Descriptor: DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCEROL, Protein BANP
Authors:Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
Deposit date:2022-08-17
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUG
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BU of 7yug by Molmil
Structure of human BANP BEN domain
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, BROMIDE ION, CHLORIDE ION, ...
Authors:Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
Deposit date:2022-08-17
Release date:2023-04-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUL
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BU of 7yul by Molmil
Crystal structure of human BEND6 BEN domain in complex with DNA
Descriptor: BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCOLIC ACID
Authors:Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R.
Deposit date:2022-08-17
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUN
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BU of 7yun by Molmil
Crystal structure of human BEND6 BEN domain in complex with methylated DNA
Descriptor: BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*(5CM)P*GP*AP*GP*AP*G)-3')
Authors:Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R.
Deposit date:2022-08-17
Release date:2023-05-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7X3Z
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BU of 7x3z by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NAD
Descriptor: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase type 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Li, T, Lin, S.X, Yin, H.
Deposit date:2022-03-01
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:New insights into the substrate inhibition of human 17 beta-hydroxysteroid dehydrogenase type 1.
J.Steroid Biochem.Mol.Biol., 228, 2023
7WZS
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BU of 7wzs by Molmil
Crystal structure of Chromobacterium violaceum effector CopC in complex with host calmodulin and caspase-7
Descriptor: Calmodulin-1, Caspase-7, CopC
Authors:Ding, J.
Deposit date:2022-02-19
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Calmodulin Binding Activates Chromobacterium CopC Effector to ADP-Riboxanate Host Apoptotic Caspases.
Mbio, 13, 2022
8Y64
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BU of 8y64 by Molmil
Crystal structure of open state ferulic acid decarboxylase from Saccharomyces cerevisiae, F397V/I398L/T438P/P441V mutant
Descriptor: DI(HYDROXYETHYL)ETHER, Ferulic acid decarboxylase 1, GLYCEROL
Authors:Feng, Y.B, Song, X, Zhu, X.N.
Deposit date:2024-02-01
Release date:2025-01-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Integrated strategies for engineering ferulic acid decarboxylase with tunnel conformation and substrate pocket for adapting non-natural substrates.
Biochem Eng J, 213, 2025
6J92
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BU of 6j92 by Molmil
Crystal structure of acetolactate decarboxylase from Enterbacter aerogenes
Descriptor: Alpha-acetolactate decarboxylase, CHLORIDE ION, ZINC ION
Authors:Mingyang, L, Song, X, Ji, F, Feng, Y.
Deposit date:2019-01-21
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.421 Å)
Cite:Crystal structure of acetolactate decarboxylase from Enterbacter aerogenes
To Be Published

238582

數據於2025-07-09公開中

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