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4NU3
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BU of 4nu3 by Molmil
Crystal structure of mFfIBP, a capping head region swapped mutant of ice-binding protein
Descriptor: SODIUM ION, SULFATE ION, ice-binding protein
Authors:Do, H, Kim, S.J, Lee, S.G, Park, H, Kim, H.J, Lee, J.H.
Deposit date:2013-12-03
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Structure-based characterization and antifreeze properties of a hyperactive ice-binding protein from the Antarctic bacterium Flavobacterium frigoris PS1
Acta Crystallogr.,Sect.D, 70, 2014
4NU2
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BU of 4nu2 by Molmil
Crystal structure of an ice-binding protein (FfIBP) from the Antarctic bacterium, Flavobacterium frigoris PS1
Descriptor: Antifreeze protein
Authors:Do, H, Kim, S.J, Lee, S.G, Park, H, Kim, H.J, Lee, J.H.
Deposit date:2013-12-03
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based characterization and antifreeze properties of a hyperactive ice-binding protein from the Antarctic bacterium Flavobacterium frigoris PS1
Acta Crystallogr.,Sect.D, 70, 2014
4NUH
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BU of 4nuh by Molmil
Crystal structure of mLeIBP, a capping head region swapped mutant of ice-binding protein
Descriptor: DI(HYDROXYETHYL)ETHER, ice-binding protein
Authors:Do, H, Kim, S.J, Lee, S.G, Park, H, Kim, H.J, Lee, J.H.
Deposit date:2013-12-03
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structure-based characterization and antifreeze properties of a hyperactive ice-binding protein from the Antarctic bacterium Flavobacterium frigoris PS1
Acta Crystallogr.,Sect.D, 70, 2014
5H4V
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BU of 5h4v by Molmil
Structure of glutamyl-tRNA synthetase (Xoo1504) from Xanthomonas oryzae pv. oryzae
Descriptor: Glutamate--tRNA ligase
Authors:Doan, T.-N.-T, Ho, T.-H, Kang, L.-W.
Deposit date:2016-11-02
Release date:2017-10-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Transcriptional expression of aminoacyl tRNA synthetase genes of Xanthomonas oryzae pv. oryzae (Xoo) on rice-leaf extract treatment and crystal structure of Xoo glutamyl-tRNA synthetase
CROP PASTURE SCI, 68, 2017
5HMO
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BU of 5hmo by Molmil
myosin X motor activity
Descriptor: Unconventional myosin-X
Authors:Ropars, V, Blanc, F, Samazan, F, Houdusse, A.
Deposit date:2016-01-16
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.493 Å)
Cite:The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016
5HMP
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BU of 5hmp by Molmil
Myosin Vc pre-powerstroke state
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
Authors:Ropars, V, Pylypenko, O, Sweeney, H.L, Houdusse, A.
Deposit date:2016-01-16
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016
6NSL
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BU of 6nsl by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.M, Khan, J.A.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Acs Med.Chem.Lett., 10, 2019
5IER
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BU of 5ier by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
5I0I
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BU of 5i0i by Molmil
Crystal structure of myosin X motor domain with 2IQ motifs in pre-powerstroke state
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Calmodulin, ...
Authors:Isabet, T, Sweeney, H.L, Houdusse, A.
Deposit date:2016-02-04
Release date:2016-09-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016
5I0H
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BU of 5i0h by Molmil
Crystal structure of myosin X motor domain in pre-powerstroke state
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Isabet, T, Blanc, F, Sweeney, H.L, Houdusse, A.
Deposit date:2016-02-04
Release date:2016-09-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016
4R2U
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BU of 4r2u by Molmil
Crystal Structure of PPARgamma in complex with SR1664
Descriptor: 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma
Authors:Marciano, D.P, Kamenecka, T, Griffin, P.R, Bruning, J.B.
Deposit date:2014-08-13
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pharmacological repression of PPAR gamma promotes osteogenesis.
Nat Commun, 6, 2015
4R6S
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BU of 4r6s by Molmil
Crystal structure of PPARgammma in complex with SR1663
Descriptor: 4'-[(2,3-dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma
Authors:Marciano, D.P, Griffin, P.R, Bruning, J.B.
Deposit date:2014-08-26
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Pharmacological repression of PPAR gamma promotes osteogenesis.
Nat Commun, 6, 2015
5NL1
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BU of 5nl1 by Molmil
Shigella IpaA-VBS3/TBS in complex with the Talin VBS1 domain 488-512
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Invasin IpaA, ...
Authors:Bou-Nader, C, Pecqueur, L, Valencia-Gallardo, C, Fontecave, M, Tran Van Nhieu, G.
Deposit date:2017-04-03
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Shigella IpaA Binding to Talin Stimulates Filopodial Capture and Cell Adhesion.
Cell Rep, 26, 2019
7C4X
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BU of 7c4x by Molmil
Crystal structure of germination protease from the spore-forming bacterium Paenisporosarcina sp. TG-20 in its inactive form
Descriptor: germination protease
Authors:Lee, J.H, Lee, C.W.
Deposit date:2020-05-18
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the psychrophilic germinal protease PaGPR and its autoinhibitory loop.
J.Microbiol, 58, 2020
7DH0
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BU of 7dh0 by Molmil
Activity optimized complex I (open form)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Jeon, T.J, Lee, S.G, Yoo, S.H, Ryu, J.H, Kim, D.S, Hyun, J.K, Kim, H.M, Ryu, S.E.
Deposit date:2020-11-12
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex.
Antioxid.Redox Signal., 2022
7DGZ
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BU of 7dgz by Molmil
Activity optimized complex I (closed form)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Jeon, T.J, Lee, S.G, Yoo, S.H, Ryu, J.H, Kim, D.S, Hyun, J.K, Kim, H.M, Ryu, S.E.
Deposit date:2020-11-12
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex.
Antioxid.Redox Signal., 2022
7DGS
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BU of 7dgs by Molmil
Activity optimized supercomplex state3
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Jeon, T.J, Lee, S.G, Yoo, S.H, Ryu, J.H, Kim, D.S, Hyun, J.K, Kim, H.M, Ryu, S.E.
Deposit date:2020-11-12
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex.
Antioxid.Redox Signal., 2022
7DGR
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BU of 7dgr by Molmil
Activity optimized supercomplex state2
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Jeon, T.J, Lee, S.G, Yoo, S.H, Ryu, J.H, Kim, D.S, Hyun, J.K, Kim, H.M, Ryu, S.E.
Deposit date:2020-11-12
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex.
Antioxid.Redox Signal., 2022
7DGQ
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BU of 7dgq by Molmil
Activity optimized supercomplex state1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Jeon, T.J, Lee, S.G, Yoo, S.H, Ryu, J.H, Kim, D.S, Hyun, J.K, Kim, H.M, Ryu, S.E.
Deposit date:2020-11-12
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (5 Å)
Cite:A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex.
Antioxid.Redox Signal., 2022
7DKF
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BU of 7dkf by Molmil
Activity optimized supercomplex state4
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Jeon, T.J, Lee, S.G, Yoo, S.H, Ryu, J.H, Kim, D.S, Hyun, J.K, Kim, H.M, Ryu, S.E.
Deposit date:2020-11-24
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (8.3 Å)
Cite:A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex.
Antioxid.Redox Signal., 2022
7EZN
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BU of 7ezn by Molmil
Crystal structure of CnYvh1 complex with vanadate
Descriptor: 1,2-ETHANEDIOL, Protein-tyrosine-phosphatase, VANADATE ION
Authors:Choi, M.K, Yoo, Y.
Deposit date:2021-06-01
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of CnYvh1 complex with vanadate
To Be Published
7TTF
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BU of 7ttf by Molmil
Tubulin-RB3_SLD in complex with compound 12k
Descriptor: 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:White, S.W, Yun, M.
Deposit date:2022-02-01
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
7TTD
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BU of 7ttd by Molmil
Tubulin-RB3_SLD in complex with compound 12e
Descriptor: 7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:White, S.W, Yun, M.
Deposit date:2022-02-01
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
7TTE
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BU of 7tte by Molmil
Tubulin-RB3_SLD in complex with compound 12j
Descriptor: 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:White, S.W, Yun, M.
Deposit date:2022-02-01
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
7WBN
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BU of 7wbn by Molmil
PDB structure of RevCC
Descriptor: RevCC
Authors:Han, S, Kim, D, Kaur, M, Lim, Y.B, Barnwal, R.P.
Deposit date:2021-12-17
Release date:2022-10-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Pseudo-Isolated alpha-Helix Platform for the Recognition of Deep and Narrow Targets.
J.Am.Chem.Soc., 144, 2022

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