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7JRA
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BU of 7jra by Molmil
HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
Descriptor: 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol, GLYCEROL, Tumor necrosis factor
Authors:Sheriff, S.
Deposit date:2020-08-11
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNF alpha Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches.
J.Med.Chem., 63, 2020
5E8X
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BU of 5e8x by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) IN COMPLEX WITH STAUROSPORINE
Descriptor: GLYCEROL, STAUROSPORINE, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
2Q58
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BU of 2q58 by Molmil
Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (cgd4_2550) in complex with zoledronate
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID
Authors:Chruszcz, M, Artz, J, Zheng, H, Dong, A, Dunford, J, Lew, J, Zhao, Y, Kozieradski, I, Kavanaugh, K.L, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, Bochkarev, A, Hui, R, Minor, W, Structural Genomics Consortium (SGC)
Deposit date:2007-05-31
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis
Chem.Biol., 15, 2008
2F6I
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BU of 2f6i by Molmil
Crystal structure of the ClpP protease catalytic domain from Plasmodium falciparum
Descriptor: ATP-dependent CLP protease, putative
Authors:Mulichak, A, Loppnau, P, Bray, J, Amani, M, Vedadi, M, Wasney, G, Finerty, P, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, Hui, R, Plotnikova, O, Structural Genomics Consortium (SGC)
Deposit date:2005-11-29
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Clp chaperones and proteases of the human malaria parasite Plasmodium falciparum.
J.Mol.Biol., 404, 2010
7WCY
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BU of 7wcy by Molmil
Crystal Structure of H-2Kb with Cryptosporidium parvum gp40/15 epitope
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
Authors:Wang, Y.L, Gao, M.H, Zhang, L.X, Fan, S.H.
Deposit date:2021-12-20
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Analyses of a Dominant Cryptosporidium parvum Epitope Presented by H-2K b Offer New Options To Combat Cryptosporidiosis.
Mbio, 14, 2023
5D2N
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BU of 5d2n by Molmil
Crystal structure of C25-NLV-HLA-A2 complex
Descriptor: ASN-LEU-VAL-PRO-MET-VAL-ALA-THR-VAL, Beta-2-microglobulin, C25 alpha, ...
Authors:Mariuzza, R.A, Yang, X.
Deposit date:2015-08-05
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural Basis for Clonal Diversity of the Public T Cell Response to a Dominant Human Cytomegalovirus Epitope.
J.Biol.Chem., 290, 2015
3SXS
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BU of 3sxs by Molmil
Crystal structure of BMX non-receptor tyrosine kinase complexed with PP2
Descriptor: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Cytoplasmic tyrosine-protein kinase BMX
Authors:Sack, J, Muckelbauer, J.
Deposit date:2011-07-15
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase.
Chem.Biol.Drug Des., 78, 2011
5ES1
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BU of 5es1 by Molmil
CRYSTAL STRUCTURE OF MICROTUBULE AFFINITY-REGULATING KINASE 4 CATALYTIC DOMAIN IN COMPLEX WITH A PYRAZOLOPYRIMIDINE INHIBITOR
Descriptor: MAP/microtubule affinity-regulating kinase 4, ~{N}-[(1~{R},6~{R})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
Authors:Sack, J.S.
Deposit date:2015-11-16
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of microtubule affinity-regulating kinase 4 catalytic domain in complex with a pyrazolopyrimidine inhibitor.
Acta Crystallogr F Struct Biol Commun, 72, 2016
3SXR
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BU of 3sxr by Molmil
Crystal structure of BMX non-receptor tyrosine kinase complex with dasatinib
Descriptor: Cytoplasmic tyrosine-protein kinase BMX, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, SULFATE ION
Authors:Sack, J, Muckelbauer, J.
Deposit date:2011-07-15
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase.
Chem.Biol.Drug Des., 78, 2011
4L0W
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BU of 4l0w by Molmil
Plasmodium yoelii Prx1a modified at the N-terminus forms an artifactual octamer
Descriptor: ACETATE ION, SULFATE ION, Thioredoxin peroxidase 1
Authors:Gretes, M.C, Karplus, P.A.
Deposit date:2013-06-01
Release date:2016-11-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Observed octameric assembly of a Plasmodium yoelii peroxiredoxin can be explained by the replacement of native "ball-and-socket" interacting residues by an affinity tag.
Protein Sci., 22, 2013
4L0U
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BU of 4l0u by Molmil
Crystal structure of Plasmodium vivax Prx1a
Descriptor: 2-Cys peroxiredoxin, putative, ACETATE ION
Authors:Gretes, M.C, Karplus, P.A.
Deposit date:2013-06-01
Release date:2016-11-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Observed octameric assembly of a Plasmodium yoelii peroxiredoxin can be explained by the replacement of native "ball-and-socket" interacting residues by an affinity tag.
Protein Sci., 22, 2013
7D4F
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BU of 7d4f by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to suramin
Descriptor: 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yin, W, Zhou, Z, Yu, X, Xu, H.
Deposit date:2020-09-23
Release date:2020-11-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Structural basis for inhibition of the SARS-CoV-2 RNA polymerase by suramin.
Nat.Struct.Mol.Biol., 28, 2021
7VMU
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BU of 7vmu by Molmil
Crystal Structure of SARS-CoV Spike Receptor-Binding Domain Complexed with Neutralizing Antibody
Descriptor: Spike protein S1, scFv E4
Authors:Guo, Y, Wang, W, Jiao, P, Yang, H, Rao, Z, Cheng, G.
Deposit date:2021-10-09
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Antibody engineering improves neutralization activity against K417 spike mutant SARS-CoV-2 variants.
Cell Biosci, 12, 2022
7VW1
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BU of 7vw1 by Molmil
Structure of a dimeric periplasmic protein bound with cuprous ions
Descriptor: COPPER (I) ION, DUF305 domain-containing protein
Authors:Yang, J, Liu, L.
Deposit date:2021-11-09
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Structural basis of copper binding by a dimeric periplasmic protein forming a six-helical bundle.
J.Inorg.Biochem., 229, 2022
7VW2
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BU of 7vw2 by Molmil
Structure of a dimeric periplasmic protein bound with cupric ions
Descriptor: COPPER (II) ION, DUF305 domain-containing protein
Authors:Yang, J, Liu, L.
Deposit date:2021-11-09
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.186 Å)
Cite:Structural basis of copper binding by a dimeric periplasmic protein forming a six-helical bundle.
J.Inorg.Biochem., 229, 2022
7VW0
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BU of 7vw0 by Molmil
Structure of a dimeric periplasmic protein
Descriptor: DUF305 domain-containing protein
Authors:Yang, J, Liu, L.
Deposit date:2021-11-09
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Structural basis of copper binding by a dimeric periplasmic protein forming a six-helical bundle.
J.Inorg.Biochem., 229, 2022
7DFH
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BU of 7dfh by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Zhou, Z, Yu, X.
Deposit date:2020-11-08
Release date:2021-11-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DFG
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BU of 7dfg by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir
Descriptor: 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ...
Authors:Li, Z, Zhou, Z, Yu, X.
Deposit date:2020-11-08
Release date:2021-11-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOI
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BU of 7doi by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir.
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-12-14
Release date:2021-12-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOK
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BU of 7dok by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-12-14
Release date:2021-12-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7C8U
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BU of 7c8u by Molmil
The crystal structure of COVID-19 main protease in complex with GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of COVID-19 main protease in complex with GC376
To Be Published
7XSB
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BU of 7xsb by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-3B11 Fab
Descriptor: P5S-3B11 Heavy chain, P5S-3B11 Light chain, Spike protein S1
Authors:Wang, X, Wang, Z, Gao, M.
Deposit date:2022-05-13
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023

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數據於2024-06-12公開中

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