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6KTB
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BU of 6ktb by Molmil
Crystal structure of B. halodurans MntR in apo form
Descriptor: HTH-type transcriptional regulator MntR, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Lee, J.Y, Lee, M.Y.
Deposit date:2019-08-26
Release date:2019-12-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of the manganese transport regulator MntR from Bacillus halodurans in apo and manganese bound forms.
Plos One, 14, 2019
6KTA
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BU of 6kta by Molmil
Crystal structure of B. halodurans MntR in apo form
Descriptor: GLYCEROL, HTH-type transcriptional regulator MntR
Authors:Lee, J.Y, Lee, M.Y.
Deposit date:2019-08-26
Release date:2019-12-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of the manganese transport regulator MntR from Bacillus halodurans in apo and manganese bound forms.
Plos One, 14, 2019
7CV2
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BU of 7cv2 by Molmil
Crystal structure of B. halodurans NiaR in niacin-bound form
Descriptor: NICOTINIC ACID, Transcriptional regulator NiaR, ZINC ION
Authors:Lee, J.Y, Lee, D.W, Park, Y.W, Lee, M.Y, Jeong, K.H.
Deposit date:2020-08-25
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structural analysis and insight into effector binding of the niacin-responsive repressor NiaR from Bacillus halodurans.
Sci Rep, 10, 2020
7CV0
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BU of 7cv0 by Molmil
Crystal structure of B. halodurans NiaR in apo form
Descriptor: Transcriptional regulator NiaR, ZINC ION
Authors:Lee, J.Y, Lee, D.W, Park, Y.W, Lee, M.Y, Jeong, K.H.
Deposit date:2020-08-25
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural analysis and insight into effector binding of the niacin-responsive repressor NiaR from Bacillus halodurans.
Sci Rep, 10, 2020
7JJO
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BU of 7jjo by Molmil
Structural Basis of the Activation of Heterotrimeric Gs-protein by Isoproterenol-bound Beta1-Adrenergic Receptor
Descriptor: Beta1-Adrenergic Receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Su, M, Zhu, L, Zhang, Y, Paknejad, N, Dey, R, Huang, J, Lee, M.Y, Williams, D, Jordan, K.D, Eng, E.T, Ernst, O.P, Meyerson, J.R, Hite, R.K, Walz, T, Liu, W, Huang, X.Y.
Deposit date:2020-07-27
Release date:2020-09-02
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural Basis of the Activation of Heterotrimeric Gs-Protein by Isoproterenol-Bound beta 1 -Adrenergic Receptor.
Mol.Cell, 80, 2020
3TFZ
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BU of 3tfz by Molmil
Crystal structure of Zhui aromatase/cyclase from Streptomcyes sp. R1128
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Cyclase, POTASSIUM ION
Authors:Ames, B.D, Lee, M.Y, Moody, C, Zhang, W, Tang, Y, Wong, S.K, Tsai, S.C.
Deposit date:2011-08-16
Release date:2011-09-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural and Biochemical Characterization of ZhuI Aromatase/Cyclase from the R1128 Polyketide Pathway.
Biochemistry, 50, 2011
6AQF
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BU of 6aqf by Molmil
Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Eddy, M.T, Lee, M.Y, Gao, Z, White, K, Didenko, T, Horst, R, Audet, M, Stanczak, P, McClary, K.M, Han, G.W, Jacobson, K.A, Stevens, R.C, Wuthrich, K.
Deposit date:2017-08-19
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Allosteric Coupling of Drug Binding and Intracellular Signaling in the A2A Adenosine Receptor.
Cell, 172, 2018
6B73
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BU of 6b73 by Molmil
Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor
Descriptor: CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ...
Authors:Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L.
Deposit date:2017-10-03
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
3TVR
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BU of 3tvr by Molmil
Crystal Structure of Streptomyces coelicolor Polyketide Aromatase/Cyclase whiE-ORFVI
Descriptor: GLYCEROL, Polyketide cyclase
Authors:Lee, M.-Y, Ames, B.D, Tsai, S.-C.
Deposit date:2011-09-20
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insight into the Molecular Basis of Aromatic Polyketide Cyclization: Crystal Structure and in Vitro Characterization of WhiE-ORFVI.
Biochemistry, 51, 2012
3TVQ
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BU of 3tvq by Molmil
Crystal structure of TCM Aro/Cyc complexed with trans-dihidroquercetin
Descriptor: (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, Multifunctional cyclase-dehydratase-3-O-methyl transferase tcmN
Authors:Ames, B.D, Lee, M.-Y, Tsai, S.-C.
Deposit date:2011-09-20
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Insight into the Molecular Basis of Aromatic Polyketide Cyclization: Crystal Structure and in Vitro Characterization of WhiE-ORFVI.
Biochemistry, 51, 2012
3TL1
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BU of 3tl1 by Molmil
Crystal structure of the Streptomyces coelicolor WhiE ORFVI polyketide aromatase/cyclase
Descriptor: 6,7,9-trihydroxy-3-methyl-1H-benzo[g]isochromen-1-one, GLYCEROL, Polyketide cyclase
Authors:Lee, M.-Y, Ames, B.D, Zhang, W, Tang, Y, Tsai, S.-C.
Deposit date:2011-08-29
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insight into the Molecular Basis of Aromatic Polyketide Cyclization: Crystal Structure and in Vitro Characterization of WhiE-ORFVI.
Biochemistry, 51, 2012
5K2B
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BU of 5k2b by Molmil
2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5K2D
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BU of 5k2d by Molmil
1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5K2C
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BU of 5k2c by Molmil
1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5K2A
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BU of 5k2a by Molmil
2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5VRA
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BU of 5vra by Molmil
2.35-Angstrom In situ Mylar structure of human A2A adenosine receptor at 100 K
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Broecker, J, Morizumi, T, Ou, W.-L, Klingel, V, Kuo, A, Kissick, D.J, Ishchenko, A, Lee, M.-Y, Xu, S, Makarov, O, Cherezov, V, Ogata, C.M, Ernst, O.P.
Deposit date:2017-05-10
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
6D0T
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BU of 6d0t by Molmil
De novo design of a fluorescence-activating beta barrel - BB1
Descriptor: BB1
Authors:Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D.
Deposit date:2018-04-10
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6PQ0
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BU of 6pq0 by Molmil
LCP-embedded Proteinase K treated with MPD
Descriptor: CALCIUM ION, Proteinase K
Authors:Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L.
Deposit date:2019-07-08
Release date:2020-08-05
Last modified:2023-10-11
Method:ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite:Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED.
Structure, 28, 2020
6PQ4
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BU of 6pq4 by Molmil
LCP-embedded Proteinase K treated with lipase
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L.
Deposit date:2019-07-08
Release date:2020-08-05
Last modified:2023-10-11
Method:ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite:Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED.
Structure, 28, 2020
3TBL
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BU of 3tbl by Molmil
Structure of Mono-ubiquitinated PCNA: Implications for DNA Polymerase Switching and Okazaki Fragment Maturation
Descriptor: Proliferating cell nuclear antigen, Ubiquitin
Authors:Zhang, Z, Lee, M, Lee, E, Zhang, S.
Deposit date:2011-08-07
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structure of monoubiquitinated PCNA: Implications for DNA polymerase switching and Okazaki fragment maturation.
Cell Cycle, 11, 2012
6CZG
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BU of 6czg by Molmil
Structure of a redesigned beta barrel, b11L5F_LGL
Descriptor: b11L5F_LGL
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZJ
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BU of 6czj by Molmil
Structure of a redesigned beta barrel, b10
Descriptor: SULFATE ION, b10
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZH
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BU of 6czh by Molmil
Structure of a redesigned beta barrel, mFAP0, bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZI
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BU of 6czi by Molmil
Structure of a redesigned beta barrel, mFAP1, bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6OHH
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BU of 6ohh by Molmil
Structure of EF1p2_mFAP2b bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, CALCIUM ION, EF1p2_mFAP2b
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2019-04-05
Release date:2020-04-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Incorporation of sensing modalities into de novo designed fluorescence-activating proteins
Nat Commun, 12, 2021

 

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