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8CX6
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BU of 8cx6 by Molmil
TPX2 Minimal Active Domain on Microtubules
Descriptor: Targeting protein for Xklp2-A
Authors:Guo, C, Alfaro-Aco, R, Russell, R, Zhang, C, Petry, S, Polenova, T.
Deposit date:2022-05-19
Release date:2023-06-28
Method:SOLID-STATE NMR
Cite:Structural basis of protein condensation on microtubules underlying branching microtubule nucleation.
Nat Commun, 14, 2023
6LNW
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BU of 6lnw by Molmil
Crystal structure of accessory secretory protein 1,2 and 3 in Streptococcus pneumoniae
Descriptor: Accessory secretory protein Asp1, Accessory secretory protein Asp2, Accessory secretory protein Asp3
Authors:Guo, C, Feng, Z, Zuo, G.
Deposit date:2020-01-02
Release date:2020-02-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional insights into the Asp1/2/3 complex mediated secretion of pneumococcal serine-rich repeat protein PsrP.
Biochem.Biophys.Res.Commun., 524, 2020
4APP
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BU of 4app by Molmil
Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide
Descriptor: GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4
Authors:Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W.
Deposit date:2012-04-04
Release date:2012-06-06
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
7RIK
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BU of 7rik by Molmil
Magic-Angle-Spinning NMR Structure of Kinesin-1 Motor Domain Assembled with Microtubules
Descriptor: Kinesin-1 heavy chain
Authors:Zhang, C, Guo, C, Russell, R.W, Quinn, C.M, Li, M, Williams, J.C, Gronenborn, A.M, Polenova, T.
Deposit date:2021-07-20
Release date:2022-11-23
Method:SOLID-STATE NMR
Cite:Magic-angle-spinning NMR structure of the kinesin-1 motor domain assembled with microtubules reveals the elusive neck linker orientation
Nat Commun, 13, 2022
2C0G
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BU of 2c0g by Molmil
Structure of PDI-related Chaperone, Wind mutant-Y53S
Descriptor: CHLORIDE ION, SODIUM ION, WINDBEUTEL PROTEIN
Authors:Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M.
Deposit date:2005-09-02
Release date:2006-08-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
2C0F
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BU of 2c0f by Molmil
Structure of Wind Y53F mutant
Descriptor: WINDBEUTEL PROTEIN
Authors:Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M.
Deposit date:2005-09-02
Release date:2006-08-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
2C0E
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BU of 2c0e by Molmil
Structure of PDI-related Chaperone, Wind with his-tag on C-terminus.
Descriptor: WINDBEUTEL PROTEIN
Authors:Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M.
Deposit date:2005-09-01
Release date:2006-08-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
2C1Y
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BU of 2c1y by Molmil
Structure of PDI-related Chaperone, Wind mutant-Y55K
Descriptor: WINDBEUTEL PROTEIN
Authors:Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M.
Deposit date:2005-09-22
Release date:2006-08-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
8TO0
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BU of 8to0 by Molmil
48-nm repeating structure of doublets from mouse sperm flagella
Descriptor: Cilia- and flagella- associated protein 210, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
Authors:Chen, Z, Shiozak, M, Hass, K.M, Skinner, W, Zhao, S, Guo, C, Polacco, B.J, Yu, Z, Krogan, N.J, Kaake, R.M, Vale, R.D, Agard, D.A.
Deposit date:2023-08-02
Release date:2023-11-01
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:De novo protein identification in mammalian sperm using in situ cryoelectron tomography and AlphaFold2 docking.
Cell, 186, 2023
1OVN
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BU of 1ovn by Molmil
Crystal Structure and Functional Analysis of Drosophila Wind-- a PDI-Related Protein
Descriptor: CESIUM ION, Windbeutel
Authors:Ma, Q, Guo, C, Barnewitz, K, Sheldrick, G.M, Soling, H.D, Uson, I, Ferrari, D.M.
Deposit date:2003-03-27
Release date:2004-02-24
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and functional analysis of Drosophila Wind, a protein-disulfide isomerase-related protein.
J.Biol.Chem., 278, 2003
2X4Z
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BU of 2x4z by Molmil
Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309
Descriptor: GLYCEROL, PF-3758309, SERINE/THREONINE-PROTEIN KINASE PAK 4
Authors:Knighton, D.R, Deng, Y, Murray, B, Guo, C, Piraino, J, Westwick, J, Zhang, C, Lamerdin, J, Dagostino, E, Loi, C.-M, Zager, M, Kraynov, E, Christensen, J, Martinez, R, Kephart, S, Marakovits, J, Karlicek, S, Bergqvist, S, Smeal, T.
Deposit date:2010-02-03
Release date:2010-05-19
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth.
Proc.Natl.Acad.Sci.USA, 107, 2010
2H7B
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BU of 2h7b by Molmil
Solution structure of the eTAFH domain from the human leukemia-associated fusion protein AML1-ETO
Descriptor: Core-binding factor, ML1-ETO
Authors:Plevin, M.J, Zhang, J, Guo, C, Roeder, R.G, Ikura, M.
Deposit date:2006-06-01
Release date:2006-07-11
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:The acute myeloid leukemia fusion protein AML1-ETO targets E proteins via a paired amphipathic helix-like TBP-associated factor homology domain
Proc.Natl.Acad.Sci.USA, 103, 2006
2JOJ
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BU of 2joj by Molmil
NMR solution structure of N-terminal domain of Euplotes octocarinatus centrin
Descriptor: Centrin protein
Authors:Hong, J, Guo, C, Lin, D.
Deposit date:2007-03-14
Release date:2008-03-18
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:NMR solution structure of N-terminal domain of Euplotes octocarinatus centrin
To be Published
7FJF
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BU of 7fjf by Molmil
Cryo-EM structure of a membrane protein(CS)
Descriptor: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
Authors:Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
Deposit date:2021-08-03
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
7FJE
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BU of 7fje by Molmil
Cryo-EM structure of a membrane protein(LL)
Descriptor: CHOLESTEROL, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
Authors:Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
Deposit date:2021-08-03
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
7FJD
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BU of 7fjd by Molmil
Cryo-EM structure of a membrane protein(WT)
Descriptor: CHOLESTEROL, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
Authors:Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
Deposit date:2021-08-03
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
5YMR
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BU of 5ymr by Molmil
The Crystal Structure of IseG
Descriptor: 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL
Authors:Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z.
Deposit date:2017-10-22
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria.
Nat Commun, 10, 2019
7EDK
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BU of 7edk by Molmil
NMR solution structure of Bt14.12, a novel A-family conotoxin from Conus betulinus
Descriptor: Conotoxin Bt14.16
Authors:Zhang, H, Lin, D, Guo, C.
Deposit date:2021-03-16
Release date:2021-03-31
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of peptide Bt14.12
To Be Published
4TYO
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BU of 4tyo by Molmil
PPIase in complex with a non-phosphate small molecule inhibitor.
Descriptor: 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Greasley, S.E, Ferre, R.A.
Deposit date:2014-07-08
Release date:2014-08-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket.
Bioorg.Med.Chem.Lett., 24, 2014
4JPG
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BU of 4jpg by Molmil
2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as Novel PKM2 Activators
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one, Pyruvate kinase isozymes M1/M2
Authors:Greasley, S.E, Hickey, M, Phonephaly, H, Cronin, C.
Deposit date:2013-03-19
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators.
Bioorg.Med.Chem.Lett., 23, 2013
3IKD
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BU of 3ikd by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D, Greasley, S, Ferre, R, Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3IK8
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BU of 3ik8 by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D, Greasley, S, Ferre, R.A, Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3IKG
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BU of 3ikg by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Parge, H, Ferre, R.A, Greasley, S, Matthews, D.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
7X7S
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BU of 7x7s by Molmil
Solution structure of human adenylate kinase 1 (hAK1)
Descriptor: Adenylate kinase isoenzyme 1
Authors:Zhang, H.
Deposit date:2022-03-10
Release date:2022-05-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:ADP-Induced Conformational Transition of Human Adenylate Kinase 1 Is Triggered by Suppressing Internal Motion of alpha 3 alpha 4 and alpha 7 alpha 8 Fragments on the ps-ns Timescale.
Biomolecules, 12, 2022
6VBK
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BU of 6vbk by Molmil
Crystal structure of N-terminal domain of Mycobacterium tuberculosis complex Lon protease
Descriptor: GLYCEROL, Lon211
Authors:Bi, F.K, Chen, C, Chen, X.Y, Guo, C.Y, Lin, D.H.
Deposit date:2019-12-19
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019

 

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