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4O0S
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BU of 4o0s by Molmil
Crystal structures of human kinase Aurora A
Descriptor: ADENOSINE, Aurora kinase A
Authors:Wang, J, Zhang, L, Ding, J.
Deposit date:2013-12-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinases
To be Published
4O0W
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BU of 4o0w by Molmil
Crystal structures of human kinase Aurora A
Descriptor: ADENOSINE, Aurora kinase A
Authors:Wang, J, Zhang, L, Ding, J.
Deposit date:2013-12-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinase
To be Published
6J5Z
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BU of 6j5z by Molmil
Crystal structure of human HINT1 mutant complexing with AP3A
Descriptor: ADENOSINE, ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-12
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
7K3J
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BU of 7k3j by Molmil
Crystal structure of dLC8 in complex with Panoramix TQT+TQ peptide
Descriptor: Dynein light chain 1, cytoplasmic, Protein panoramix, ...
Authors:Wang, J, Patel, D.J.
Deposit date:2020-09-11
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular principles of Piwi-mediated cotranscriptional silencing through the dimeric SFiNX complex.
Genes Dev., 35, 2021
7K3K
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BU of 7k3k by Molmil
Crystal structure of dLC8 in complex with Panoramix TQT peptide
Descriptor: Dynein light chain 1, cytoplasmic, Protein panoramix
Authors:Wang, J, Patel, D.J.
Deposit date:2020-09-11
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.415 Å)
Cite:Molecular principles of Piwi-mediated cotranscriptional silencing through the dimeric SFiNX complex.
Genes Dev., 35, 2021
7K3L
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BU of 7k3l by Molmil
Crystal structure of dLC8 in complex with Panoramix TQ peptide
Descriptor: 1,2-ETHANEDIOL, Dynein light chain 1, cytoplasmic, ...
Authors:Wang, J, Patel, D.J.
Deposit date:2020-09-11
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Molecular principles of Piwi-mediated cotranscriptional silencing through the dimeric SFiNX complex.
Genes Dev., 35, 2021
4RNG
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BU of 4rng by Molmil
Crystal structure of a bacterial homologue of SWEET transporters
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MtN3/saliva family, SULFATE ION
Authors:Hu, Q, Wang, J, Yan, C, Yan, N.
Deposit date:2014-10-24
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a bacterial homologue of SWEET transporters.
Cell Res., 24, 2014
5HWV
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BU of 5hwv by Molmil
Crystal structure of PAS1 complexed with toluene
Descriptor: Sensor histidine kinase TodS, TOLUENE
Authors:Hwang, J, Koh, S.
Deposit date:2016-01-29
Release date:2016-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System.
J. Biol. Chem., 291, 2016
6J65
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BU of 6j65 by Molmil
Crystal structure of human HINT1 mutant complexing with AP4A II
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-14
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
7DPM
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BU of 7dpm by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW06 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-12-20
Release date:2021-02-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.304 Å)
Cite:Characterization of MW06, a human monoclonal antibody with cross-neutralization activity against both SARS-CoV-2 and SARS-CoV.
Mabs, 13, 2021
8WFC
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BU of 8wfc by Molmil
N5, N10-methylenetetrahydrofolate dehydrogenase/cyclohydrolase
Descriptor: Bifunctional protein FolD
Authors:Hwang, J, Lee, J.H, Do, H.
Deposit date:2023-09-19
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure and Sequence Analysis of N5, N10-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase Enzyme from Porphyromonas gingivalis
Crystals, 13, 2023
7DQA
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BU of 7dqa by Molmil
Cryo-EM structure of SARS-CoV2 RBD-ACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
Authors:Wang, J, Lan, J, Wang, X.Q, Wang, H.W.
Deposit date:2020-12-22
Release date:2021-12-29
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Reduced graphene oxide membrane as supporting film for high-resolution cryo-EM
Biophys Rep, 7, 2022
6NXF
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BU of 6nxf by Molmil
Crystal structure of mouse REC114 PH domain in complex with ANKRD31 C terminus
Descriptor: Ankyrin repeat domain 31, Meiotic recombination protein REC114
Authors:Wang, J, Patel, D.J.
Deposit date:2019-02-08
Release date:2019-04-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.791 Å)
Cite:REC114 Partner ANKRD31 Controls Number, Timing, and Location of Meiotic DNA Breaks.
Mol.Cell, 74, 2019
3MHE
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BU of 3mhe by Molmil
Crystal Structure of Ketosteroid Isomerase P39A from Pseudomonas Testosteroni (tKSI)
Descriptor: N-PROPANOL, SULFATE ION, Steroid Delta-Isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-04-07
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.722 Å)
Cite:Crystal Structure of Ketosteroid Isomerase P39A from Pseudomonas Testosteroni (tKSI)
To be Published
3MKI
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BU of 3mki by Molmil
Crystal Structure of Ketosteroid Isomerase D38ED99N from Pseudomonas Testosteroni (tKSI)
Descriptor: GLYCEROL, SULFATE ION, Steroid Delta-Isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-04-14
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Ketosteroid Isomerase D38E,D99N from Pseudomonas Testosteroni (tKSI)
To be Published
3M8C
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BU of 3m8c by Molmil
Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with Equilenin Bound
Descriptor: EQUILENIN, GLYCEROL, SULFATE ION, ...
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-03-17
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with Equilenin Bound
TO BE PUBLISHED
3MYT
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BU of 3myt by Molmil
Crystal structure of Ketosteroid Isomerase D38HD99N from Pseudomonas testosteroni (tKSI)
Descriptor: EQUILENIN, GLYCEROL, SULFATE ION, ...
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-05-11
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:Crystal Structure of Ketosteroid Isomerase D38HD99N from Pseudomonas Testosteroni (tKSI)
To be Published
3NBR
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BU of 3nbr by Molmil
Crystal Structure of Ketosteroid Isomerase D38NP39GD99N from Pseudomonas Testosteroni (tKSI) with 4-Androstene-3,17-dione Bound
Descriptor: 4-ANDROSTENE-3-17-DIONE, SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Ruben, E, Sunden, F, Herschlag, D.
Deposit date:2010-06-03
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of Ketosteroid Isomerase D38NP39GD99N from Pseudomonas Testosteroni (tKSI) with 4-Androstene-3,17-dione Bound
To be Published
3NM2
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BU of 3nm2 by Molmil
Crystal Structure of Ketosteroid Isomerase D38EP39GV40GS42G from Pseudomonas Testosteroni (tKSI)
Descriptor: SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-06-21
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Crystal Structure of Ketosteroid Isomerase D38EP39GV40GS42G from Pseudomonas Testosteroni (tKSI)
To be Published
5YB1
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BU of 5yb1 by Molmil
Structure and function of human serum albumin-metal agent complex
Descriptor: PALMITIC ACID, Serum albumin, ~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine
Authors:Yang, F, Wang, T, Wang, J, Gou, Y, Zhang, Z.L.
Deposit date:2017-09-02
Release date:2018-09-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.616 Å)
Cite:Developing an Anticancer Copper(II) Multitarget Pro-Drug Based on the His146 Residue in the IB Subdomain of Modified Human Serum Albumin.
Mol. Pharm., 15, 2018
8HVY
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BU of 8hvy by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07304814
Descriptor: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-28
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
7DK2
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BU of 7dk2 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW07 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW07 heavy chain, MW07 light chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M, Chen, S.
Deposit date:2020-11-22
Release date:2021-12-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Architectural versatility of spike neutralization by a SARS-CoV-2 antibody
To Be Published
3SR9
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BU of 3sr9 by Molmil
Crystal structure of mouse PTPsigma
Descriptor: Receptor-type tyrosine-protein phosphatase S
Authors:Wang, J, Hou, L, Li, J, Ding, J.
Deposit date:2011-07-07
Release date:2012-05-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the homology and differences between mouse protein tyrosine phosphatase-sigma and human protein tyrosine phosphatase-sigma
Acta Biochim.Biophys.Sin., 43, 2011
4L53
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BU of 4l53 by Molmil
Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ...
Authors:Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
Deposit date:2013-06-10
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
4L3P
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BU of 4l3p by Molmil
Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1
Descriptor: 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
Authors:Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M.
Deposit date:2013-06-06
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013

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