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7C7G
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BU of 7c7g by Molmil
Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2j
Descriptor: 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Irie, K, Toyooka, N, Endo, S.
Deposit date:2020-05-25
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
7C7H
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BU of 7c7h by Molmil
Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2l
Descriptor: 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Irie, K, Toyooka, N, Endo, S.
Deposit date:2020-05-25
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
7X9E
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BU of 7x9e by Molmil
Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide
Descriptor: 76E1 Fab Heavy Chain, 76E1 Fab Light Chain, Spike peptide
Authors:Chen, X, Zhang, T, Ding, J, Sun, X, Sun, B.
Deposit date:2022-03-15
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Neutralization mechanism of a human antibody with pan-coronavirus reactivity including SARS-CoV-2.
Nat Microbiol, 7, 2022
7WKX
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BU of 7wkx by Molmil
IL-17A in complex with the humanized antibody HB0017
Descriptor: ACETIC ACID, Heavy chain of HB0017 Fab, Interleukin-17A, ...
Authors:Xu, J, Zhu, X, He, Y.
Deposit date:2022-01-12
Release date:2022-03-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural and functional insights into a novel pre-clinical-stage antibody targeting IL-17A for treatment of autoimmune diseases.
Int.J.Biol.Macromol., 202, 2022
7V97
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BU of 7v97 by Molmil
Arsenic-bound p53 DNA-binding domain mutant V272M
Descriptor: ARSENIC, Cellular tumor antigen p53, ZINC ION
Authors:Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X.
Deposit date:2021-08-24
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties.
Sci Transl Med, 15, 2023
5KZF
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BU of 5kzf by Molmil
Crystal structure of near full-length hexameric Mycobacterium tuberculosis proteasomal ATPase Mpa in apo form
Descriptor: Proteasome-associated ATPase
Authors:Li, H, Hu, K, Yang, S, Bai, L.
Deposit date:2016-07-25
Release date:2017-05-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease.
Mol. Microbiol., 105, 2017
7EAX
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BU of 7eax by Molmil
Crystal complex of p53-V272M and antimony ion
Descriptor: ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION
Authors:Lu, M, Tang, Y.
Deposit date:2021-03-08
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
6E40
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BU of 6e40 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complexed with ferric heme and Epacadostat
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.306 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E42
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BU of 6e42 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and 4-Chlorophenyl imidazole
Descriptor: 4-(3-chlorophenyl)-1H-imidazole, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ...
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E41
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BU of 6e41 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and an Epacadostat analog
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E43
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BU of 6e43 by Molmil
Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) in complex with a BMS-978587 analog
Descriptor: (1R,2S)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, BENZOIC ACID, Indoleamine 2,3-dioxygenase 1
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E45
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BU of 6e45 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferrous state
Descriptor: GLYCEROL, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ...
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E44
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BU of 6e44 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferric state
Descriptor: Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E46
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BU of 6e46 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferrous heme and tryptophan
Descriptor: Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5KWA
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BU of 5kwa by Molmil
complete structure of the Mycobacterium tuberculosis proteasomal ATPase Mpa
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Proteasome-associated ATPase
Authors:Wang, T, WU, Y.J.
Deposit date:2016-07-17
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease
Mol. Microbiol., 105, 2017
7YRV
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BU of 7yrv by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for FGFR1
Descriptor: LF1
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-09-04
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
7YRW
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BU of 7yrw by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for HER2
Descriptor: LH2
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-09-04
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
7YRX
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BU of 7yrx by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for HER3
Descriptor: LH3
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-11
Release date:2023-08-16
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
4WZF
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BU of 4wzf by Molmil
Crystal structural basis for Rv0315, an immunostimulatory antigen and pseudo beta-1, 3-glucanase of Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, 1,3-beta-glucanase, CALCIUM ION
Authors:Dong, W.Y, Fu, Z.F, Peng, G.Q.
Deposit date:2014-11-19
Release date:2015-12-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Crystal structural basis for Rv0315, an immunostimulatory antigen and inactive beta-1,3-glucanase of Mycobacterium tuberculosis.
Sci Rep, 5, 2015
6LPA
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BU of 6lpa by Molmil
The nsp1 protein of a new porcine coronavirus
Descriptor: sp1 protein
Authors:Shen, Z, Peng, G.Q.
Deposit date:2020-01-09
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Structural and Biological Basis of Alphacoronavirus nsp1 Associated with Host Proliferation and Immune Evasion.
Viruses, 12, 2020
6LP9
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BU of 6lp9 by Molmil
the protein of cat virus
Descriptor: nsp1 protein
Authors:Shen, Z, Peng, G.Q.
Deposit date:2020-01-09
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural and Biological Basis of Alphacoronavirus nsp1 Associated with Host Proliferation and Immune Evasion.
Viruses, 12, 2020
3ODS
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BU of 3ods by Molmil
Crystal structure of the K185A mutant of the N-terminal domain of human Symplekin
Descriptor: 1,2-ETHANEDIOL, Symplekin
Authors:Tong, L, Xiang, K.
Deposit date:2010-08-11
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the human symplekin-Ssu72-CTD phosphopeptide complex.
Nature, 467, 2010
3ODR
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BU of 3odr by Molmil
Crystal Structure of the N-terminal Domain of Human Symplekin
Descriptor: 1,2-ETHANEDIOL, Symplekin
Authors:Tong, L, Xiang, K.
Deposit date:2010-08-11
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the human symplekin-Ssu72-CTD phosphopeptide complex.
Nature, 467, 2010
3O2Q
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BU of 3o2q by Molmil
Crystal structure of the human symplekin-Ssu72-CTD phosphopeptide complex
Descriptor: PHOSPHATE ION, RNA polymerase II CTD Serine-5 phosphopeptide, RNA polymerase II subunit A C-terminal domain phosphatase SSU72, ...
Authors:Tong, L, Xiang, K.
Deposit date:2010-07-22
Release date:2010-10-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the human symplekin-Ssu72-CTD phosphopeptide complex.
Nature, 467, 2010
3O2S
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BU of 3o2s by Molmil
Crystal structure of the human symplekin-Ssu72 complex
Descriptor: PHOSPHATE ION, RNA polymerase II subunit A C-terminal domain phosphatase SSU72, Symplekin
Authors:Tong, L, Xiang, K.
Deposit date:2010-07-22
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the human symplekin-Ssu72-CTD phosphopeptide complex.
Nature, 467, 2010

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數據於2024-11-06公開中

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