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7LO7
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BU of 7lo7 by Molmil
NorA in complex with Fab25
Descriptor: Fab25 Heavy Chain, Fab25 Light Chain, Quinolone resistance protein NorA
Authors:Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N.
Deposit date:2021-02-09
Release date:2022-04-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus.
Nat.Chem.Biol., 18, 2022
7LO8
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BU of 7lo8 by Molmil
NorA in complex with Fab36
Descriptor: Fab36 Heavy Chain, Fab36 Light Chain, Quinolone resistance protein NorA
Authors:Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N.
Deposit date:2021-02-09
Release date:2022-04-20
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus.
Nat.Chem.Biol., 18, 2022
7U6R
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BU of 7u6r by Molmil
Cryo-EM structure of PDF-2180 Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PDF-2180 Spike glycoprotein
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-03-05
Release date:2022-11-30
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
1JI6
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BU of 1ji6 by Molmil
CRYSTAL STRUCTURE OF THE INSECTICIDAL BACTERIAL DEL ENDOTOXIN CRY3Bb1 BACILLUS THURINGIENSIS
Descriptor: PESTICIDIAL CRYSTAL PROTEIN CRY3BB
Authors:Cody, V.
Deposit date:2001-06-29
Release date:2001-09-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the insecticidal bacterial delta-endotoxin Cry3Bb1 of Bacillus thuringiensis.
Acta Crystallogr.,Sect.D, 57, 2001
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
4O0U
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BU of 4o0u 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 Kinases
To be Published
8TAI
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BU of 8tai by Molmil
TMEM16F, with Calcium and PIP2, no inhibitor, Cl2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION
Authors:Wu, H, Feng, S, Cheng, Y.
Deposit date:2023-06-27
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
8TAL
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BU of 8tal by Molmil
TMEM16F, with Calcium and PIP2, no inhibitor, Cl1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION
Authors:Wu, H, Feng, S, Cheng, Y.
Deposit date:2023-06-27
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
7KEO
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BU of 7keo by Molmil
Crystal structure of K29-linked di-ubiquitin in complex with synthetic antigen binding fragment
Descriptor: PHOSPHATE ION, Synthetic antigen binding fragment, heavy chain, ...
Authors:Yu, Y, Zheng, Q, Erramilli, S, Pan, M, Kossiakoff, A, Liu, L, Zhao, M.
Deposit date:2020-10-11
Release date:2021-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:K29-linked ubiquitin signaling regulates proteotoxic stress response and cell cycle.
Nat.Chem.Biol., 17, 2021
6NAO
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BU of 6nao by Molmil
Discovery of a high affinity inhibitor of cGAS
Descriptor: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION
Authors:Hall, J.
Deposit date:2018-12-06
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
5Z1S
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BU of 5z1s by Molmil
Crystal Structure Analysis of the BRD4(1)
Descriptor: 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
5VEH
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BU of 5veh by Molmil
Re-refinement OF THE PDB STRUCTURE 1yiz of Aedes aegypti kynurenine aminotransferase
Descriptor: BROMIDE ION, GLYCEROL, Kynurenine aminotransferase
Authors:Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
Deposit date:2017-04-04
Release date:2017-11-29
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
3SQJ
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BU of 3sqj by Molmil
Recombinant human serum albumin from transgenic plant
Descriptor: MYRISTIC ACID, Serum albumin
Authors:He, Y, Yang, D.
Deposit date:2011-07-05
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Large-scale production of functional human serum albumin from transgenic rice seeds.
Proc.Natl.Acad.Sci.USA, 108, 2011
6JMT
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BU of 6jmt by Molmil
Crystal structure of GIT/PIX complex
Descriptor: ARF GTPase-activating protein GIT2, ZINC ION, beta PIX
Authors:Zhu, J, Lin, L, Xia, Y, Zhang, R, Zhang, M.
Deposit date:2019-03-13
Release date:2020-05-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:GIT/PIX Condensates Are Modular and Ideal for Distinct Compartmentalized Cell Signaling.
Mol.Cell, 79, 2020
7LVA
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BU of 7lva by Molmil
Solution structure of the HIV-1 PBS-segment
Descriptor: RNA (103-MER)
Authors:Heng, X, Song, Z.
Deposit date:2021-02-24
Release date:2021-03-17
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:The three-way junction structure of the HIV-1 PBS-segment binds host enzyme important for viral infectivity.
Nucleic Acids Res., 49, 2021
7JU8
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BU of 7ju8 by Molmil
X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine
Descriptor: 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A.
Deposit date:2020-08-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
3KQI
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BU of 3kqi by Molmil
crystal structure of PHF2 PHD domain complexed with H3K4Me3 peptide
Descriptor: CHLORIDE ION, GLYCEROL, H3K4Me3 peptide, ...
Authors:Wen, H, Li, J.Z, Song, T, Lu, M, Lee, M.
Deposit date:2009-11-17
Release date:2010-02-02
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Recognition of histone H3K4 trimethylation by the plant homeodomain of PHF2 modulates histone demethylation.
J.Biol.Chem., 285, 2010
5XFJ
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BU of 5xfj by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550M)
Descriptor: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
Authors:Wu, D, Chen, Y.
Deposit date:2017-04-10
Release date:2018-08-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
5Z1R
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BU of 5z1r by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
3HJ2
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BU of 3hj2 by Molmil
Crystal structure of covalent dimer of HNP1
Descriptor: HUMAN NEUTROPHIL PEPTIDE 1
Authors:Lubkowski, J, Pazgier, M, Lu, W.
Deposit date:2009-05-20
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:What Dictates the Multifaced Functions of the Human alpha-Defensin HNP1?
To be Published
3HJD
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BU of 3hjd by Molmil
X-ray structure of monomeric variant of HNP1
Descriptor: Human neutrophil peptide 1
Authors:Lubkowski, J, Pazgier, M, Lu, W.
Deposit date:2009-05-21
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:What Dictates the Multifaced Functions of the Human alpha-Defensin HNP?
To be Published
2MI8
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BU of 2mi8 by Molmil
Solution structure of lysine-free (K0) ubiquitin
Descriptor: Ubiquitin
Authors:Huang, T, Li, J.R, Byrd, A.R.
Deposit date:2013-12-09
Release date:2014-04-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of lysine-free (K0) ubiquitin.
Protein Sci., 23, 2014
8XMO
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BU of 8xmo by Molmil
Voltage-gated sodium channel Nav1.7 variant M4
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Wu, Q, Huang, G.
Deposit date:2023-12-27
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XMM
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BU of 8xmm by Molmil
Voltage-gated sodium channel Nav1.7 variant M9
Descriptor: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Yan, N, Li, Z, Wu, Q, Huang, G.
Deposit date:2023-12-27
Release date:2024-03-06
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024

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