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6UDI
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BU of 6udi by Molmil
X-ray co-crystal structure of compound 20 with Mcl-1
Descriptor: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X, Whittington, D.
Deposit date:2019-09-19
Release date:2019-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDY
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BU of 6udy by Molmil
X-ray co-crystal structure of compound 5 with Mcl-1
Descriptor: (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-09-19
Release date:2019-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
5Y0Y
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BU of 5y0y by Molmil
RVFV GN-AU
Descriptor: GOLD ION, NSmGnGc
Authors:Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F.
Deposit date:2017-07-19
Release date:2017-09-13
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (3.398 Å)
Cite:Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
6KXW
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BU of 6kxw by Molmil
Crystal structure of human aquaporin AQP7 in bound to glycerol
Descriptor: Aquaporin-7, GLYCEROL
Authors:Zhang, L, Yao, D, Zhou, F, Zhang, Q, Zhou, L, Cao, Y.
Deposit date:2019-09-13
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The structural basis for glycerol permeation by human AQP7
Sci Bull (Beijing), 66, 2020
5Y11
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BU of 5y11 by Molmil
SFTSV GN with neutralizing antibody MAb4-5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAb 4-5 heavy chain, MAb 4-5 light chain, ...
Authors:Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F.
Deposit date:2017-07-19
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6UDX
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BU of 6udx by Molmil
X-ray co-crystal structure of compound 7 with Mcl-1
Descriptor: (2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-09-19
Release date:2019-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
8J4A
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BU of 8j4a by Molmil
Crystal structure of OY phytoplasma SAP05 in complex with AtRPN10
Descriptor: 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein
Authors:Dong, C, Yan, X, Yuan, X.
Deposit date:2023-04-19
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Molecular basis of SAP05-mediated ubiquitin-independent proteasomal degradation of transcription factors.
Nat Commun, 15, 2024
8J49
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BU of 8j49 by Molmil
Crystal structure of OY phytoplasma SAP05 in complex with AtSPL5
Descriptor: Sequence-variable mosaic (SVM) signal sequence domain-containing protein, Squamosa promoter-binding-like protein 5, ZINC ION
Authors:Dong, C, Yan, X, Yuan, X.
Deposit date:2023-04-19
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Molecular basis of SAP05-mediated ubiquitin-independent proteasomal degradation of transcription factors.
Nat Commun, 15, 2024
8J48
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BU of 8j48 by Molmil
Crystal structure of OY phytoplasma SAP05 in complex with AtGATA18
Descriptor: GATA transcription factor 18, Sequence-variable mosaic (SVM) signal sequence domain-containing protein, ZINC ION
Authors:Dong, C, Yan, X, Yuan, X.
Deposit date:2023-04-19
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Molecular basis of SAP05-mediated ubiquitin-independent proteasomal degradation of transcription factors.
Nat Commun, 15, 2024
8J4B
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BU of 8j4b by Molmil
Crystal structure of OY phytoplasma SAP05 in complex with AtSPL13
Descriptor: Sequence-variable mosaic (SVM) signal sequence domain-containing protein, Squamosa promoter-binding-like protein 13A, ZINC ION
Authors:Dong, C, Yan, X, Yuan, X.
Deposit date:2023-04-19
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of SAP05-mediated ubiquitin-independent proteasomal degradation of transcription factors.
Nat Commun, 15, 2024
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:2024-04-03
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
6UDT
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BU of 6udt by Molmil
X-ray co-crystal structure of compound 10 bound to human Mcl-1
Descriptor: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X, Whittington, D.
Deposit date:2019-09-19
Release date:2019-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDU
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BU of 6udu by Molmil
X-ray co-crystal structure of compound 8 bound to human Mcl-1
Descriptor: (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X, Whittington, D.
Deposit date:2019-09-19
Release date:2019-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDV
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BU of 6udv by Molmil
X-ray co-crystal structure of compound 3 bound to human Mcl-1
Descriptor: (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X, Whittington, D.
Deposit date:2019-09-19
Release date:2019-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6IV5
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BU of 6iv5 by Molmil
Crystal structure of arabidopsis N6-mAMP deaminase MAPDA
Descriptor: Adenosine/AMP deaminase family protein, PHOSPHATE ION, ZINC ION
Authors:Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J.
Deposit date:2018-12-02
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing.
Rna Biol., 16, 2019
5K4L
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BU of 5k4l by Molmil
Crystal structure of KDM5A in complex with a naphthyridone inhibitor
Descriptor: Lysine-specific demethylase 5A, NICKEL (II) ION, Unknown Peptide, ...
Authors:Kiefer, J.R, Vinogradova, M.V.
Deposit date:2016-05-20
Release date:2016-08-10
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (3.179 Å)
Cite:Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5Y0W
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BU of 5y0w by Molmil
The structure of RVFV Gn head domain
Descriptor: NSmGnGc
Authors:Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F.
Deposit date:2017-07-19
Release date:2017-09-13
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5DDV
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BU of 5ddv by Molmil
Crystal structure of IspD from Bacillus subtilis at 2.30 Angstroms resolution, crystal form II
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
Authors:Jin, Y, Liu, Z.C, Wang, G.G.
Deposit date:2015-08-25
Release date:2016-08-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
8JP0
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BU of 8jp0 by Molmil
structure of human sodium-calciumexchanger NCX1
Descriptor: 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline, Sodium/calcium exchanger 1
Authors:Dong, Y, Zhao, Y.
Deposit date:2023-06-09
Release date:2024-01-03
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insight into the allosteric inhibition of human sodium-calcium exchanger NCX1 by XIP and SEA0400.
Embo J., 43, 2024
5D4Y
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BU of 5d4y by Molmil
A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase
Descriptor: beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, xylanase
Authors:Zheng, Y, Guo, R.T.
Deposit date:2015-08-10
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
5DDT
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BU of 5ddt by Molmil
Crystal structure of IspD from Bacillus subtilis at 1.80 Angstroms resolution, crystal form I
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
Authors:Jin, Y, Liu, Z.C, Wang, G.G.
Deposit date:2015-08-25
Release date:2016-08-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
6J23
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BU of 6j23 by Molmil
Crystal structure of arabidopsis ADAL complexed with GMP
Descriptor: Adenosine/AMP deaminase family protein, GUANOSINE-5'-MONOPHOSPHATE, ZINC ION
Authors:Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J.
Deposit date:2018-12-30
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing.
Rna Biol., 16, 2019
7EDX
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BU of 7edx by Molmil
p53-bound TFIID-based core PIC on HDM2 promoter
Descriptor: DNA (84-mer), DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
Authors:Chen, X, Qi, Y, Hou, H, Wang, X, Wu, Z, Li, J, Xu, Y.
Deposit date:2021-03-17
Release date:2021-05-05
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
7EGF
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BU of 7egf by Molmil
TFIID lobe A subcomplex
Descriptor: TATA-box-binding protein, Transcription initiation factor TFIID subunit 10, Transcription initiation factor TFIID subunit 11, ...
Authors:Chen, X, Wu, Z, Li, J, Zhao, D, Xu, Y.
Deposit date:2021-03-24
Release date:2021-05-05
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural insights into preinitiation complex assembly on core promoters.
Science, 2021

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數據於2024-10-16公開中

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