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4RQW
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BU of 4rqw by Molmil
Crystal structure of Myc3 N-terminal JAZ-binding domain [44-238] from Arabidopsis
Descriptor: CALCIUM ION, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Zhou, X.E, Brunzelle, J, Zhou, M, Xu, H.E, Melcher, K, He, S.Y.
Deposit date:2014-11-05
Release date:2015-08-12
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
4UAX
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BU of 4uax by Molmil
X-ray crystal structure of ligand free CYP142A2 from Mycobacterium smegmatis
Descriptor: P450 heme-thiolate protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Madrona, Y.
Deposit date:2014-08-11
Release date:2014-09-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Cholesterol ester oxidation by mycobacterial cytochrome p450.
J.Biol.Chem., 289, 2014
8IFJ
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BU of 8ifj by Molmil
Crystal structure of pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1
Descriptor: Pyrrolysyl-tRNA synthetase PylS
Authors:Yanagisawa, T, Tanabe, H, Yokoyama, S.
Deposit date:2023-02-18
Release date:2023-03-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal Structure of Pyrrolysyl-tRNA Synthetase from a Methanogenic Archaeon ISO4-G1 and Its Structure-Based Engineering for Highly-Productive Cell-Free Genetic Code Expansion with Non-Canonical Amino Acids.
Int J Mol Sci, 24, 2023
7KHW
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BU of 7khw by Molmil
Cryo-EM structure of enteropathogenic Escherichia coli type III secretion system EspA filament
Descriptor: Translocon EspA
Authors:Zheng, W, Ilangovan, A, Costa, T.R.D, Egelman, E.H.
Deposit date:2020-10-22
Release date:2020-12-23
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryoelectron-microscopy structure of the enteropathogenic Escherichia coli type III secretion system EspA filament.
Proc.Natl.Acad.Sci.USA, 118, 2021
8CI4
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BU of 8ci4 by Molmil
Crystal structure of doubly S-methanethiolated rabbit M-type creatine kinase
Descriptor: CITRATE ANION, Creatine kinase M-type
Authors:Joergensen, M.H, Andersen, D.G, Andersen, G.R.
Deposit date:2023-02-08
Release date:2023-12-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Chemical Zymogens and Transmembrane Activation of Transcription in Synthetic Cells.
Adv Mater, 36, 2024
8C9I
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BU of 8c9i by Molmil
Cytochrome P450 CYP141A1 (Rv3121) from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 141, HEME B/C
Authors:Selvam, I.R.
Deposit date:2023-01-23
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:2.05 Angstrom structure of cytochrome P450 CYP141A1 (Rv3121) from Mycobacterium tuberculosis
To Be Published
8JP2
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BU of 8jp2 by Molmil
Crystal structure of AKR1C1 in complex with DFV
Descriptor: 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P.
Deposit date:2023-06-10
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of AKR1Cs by liquiritigenin and the structural basis.
Chem.Biol.Interact., 385, 2023
5T0Q
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BU of 5t0q by Molmil
Crystal structure of the Myc3 N-terminal domain [44-242] in complex with JAZ10 Jas domain [166-192] from arabidopsis
Descriptor: Protein TIFY 9, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Brunzelle, J.S, He, S.Y, Xu, H.E, Melcher, K.
Deposit date:2016-08-16
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into alternative splicing-mediated desensitization of jasmonate signaling.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7JXG
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BU of 7jxg by Molmil
Structural model for Fe-containing human acireductone dioxygenase
Descriptor: 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, FE (II) ION
Authors:Pochapsky, T.C, Liu, X, Deshpande, A, Ringe, D, Garber, A, Ryan, J.
Deposit date:2020-08-27
Release date:2020-11-18
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A Model for the Solution Structure of Human Fe(II)-Bound Acireductone Dioxygenase and Interactions with the Regulatory Domain of Matrix Metalloproteinase I (MMP-I).
Biochemistry, 59, 2020
5V9X
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BU of 5v9x by Molmil
Structure of Mycobacterium smegmatis helicase Lhr bound to ssDNA and AMP-PNP
Descriptor: ATP-dependent DNA helicase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Ordonez, H, Jacewicz, A, Ferrao, R, Shuman, S.
Deposit date:2017-03-23
Release date:2017-12-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Structure of mycobacterial 3'-to-5' RNA:DNA helicase Lhr bound to a ssDNA tracking strand highlights distinctive features of a novel family of bacterial helicases.
Nucleic Acids Res., 46, 2018
7L1E
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BU of 7l1e by Molmil
The Crystal Structure of Bromide-Bound GtACR1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Anion channelrhodopsin-1, BROMIDE ION, ...
Authors:Li, H, Huang, C.Y, Wang, M, Spudich, J.L, Zheng, L.
Deposit date:2020-12-14
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The crystal structure of bromide-bound Gt ACR1 reveals a pre-activated state in the transmembrane anion tunnel.
Elife, 10, 2021
7LTN
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BU of 7ltn by Molmil
Crystal structure of Mpro in complex with inhibitor CDD-1713
Descriptor: 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide, 3C-like proteinase
Authors:Lu, S, Palzkill, T, Matzuk, M, Young, D, Melek, N, Chamakuri, S.
Deposit date:2021-02-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M pro inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
5ULG
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BU of 5ulg by Molmil
Crystal structure of RPE65 in complex with MB-008 and palmitate
Descriptor: (3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol, FE (II) ION, PALMITIC ACID, ...
Authors:Kiser, P.D, Palczewski, K.
Deposit date:2017-01-24
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
5UNQ
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BU of 5unq by Molmil
Crystal Structure of Pt0534 Inactivated by 2-Oxo-3-pentynoate
Descriptor: Putative tautomerase
Authors:LeVieux, J, Baas, B.J, Zhang, Y.J, Whitman, C.P.
Deposit date:2017-01-31
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.976 Å)
Cite:A global view of structure-function relationships in the tautomerase superfamily.
J. Biol. Chem., 293, 2018
7LHL
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BU of 7lhl by Molmil
cryo-EM structure of Mycobacterium smegmatis Lhr helicase C-terminal domain
Descriptor: ATP-dependent DNA helicase
Authors:Wang, J, Warren, G.M, Shuman, S, Patel, D.J.
Deposit date:2021-01-25
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Oligomeric quaternary structure of Escherichia coli and Mycobacterium smegmatis Lhr helicases is nucleated by a novel C-terminal domain composed of five winged-helix modules.
Nucleic Acids Res., 49, 2021
5UK6
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BU of 5uk6 by Molmil
Structure of Anabaena Sensory Rhodopsin Determined by Solid State NMR Spectroscopy and DEER
Descriptor: Bacteriorhodopsin
Authors:Milikisiyants, S, Wang, S, Munro, R.A, Donohue, M, Ward, M.E, Brown, L.S, Smirnova, T.I, Ladizhansky, V, Smirnov, A.I.
Deposit date:2017-01-20
Release date:2017-05-31
Last modified:2020-01-08
Method:SOLID-STATE NMR
Cite:Oligomeric Structure of Anabaena Sensory Rhodopsin in a Lipid Bilayer Environment by Combining Solid-State NMR and Long-range DEER Constraints.
J. Mol. Biol., 429, 2017
7LG9
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BU of 7lg9 by Molmil
ChsB1
Descriptor: 3-ketoacyl-ACP reductase
Authors:Yuan, T, Werman, J.M, Yin, X, Yang, M, Garcia-Diaz, M, Sampson, N.S.
Deposit date:2021-01-19
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Enzymatic beta-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA.
Acs Infect Dis., 7, 2021
7LGB
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BU of 7lgb by Molmil
ChsB1 in complex with NAD+
Descriptor: 3-ketoacyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Yuan, T, Werman, J.M, Yin, X, Yang, M, Garcia-Diaz, M, Sampson, N.S.
Deposit date:2021-01-19
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Enzymatic beta-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA.
Acs Infect Dis., 7, 2021
5VN9
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BU of 5vn9 by Molmil
Structure of bacteriorhodopsin from crystals grown at 4 deg C using GlyNCOC15+4 as an LCP host lipid
Descriptor: Bacteriorhodopsin
Authors:Ishchenko, A, Peng, L, Zinovev, E, Vlasov, A, Lee, S.C, Kuklin, A, Mishin, A, Borshchevskiy, V, Zhang, Q, Cherezov, V.
Deposit date:2017-04-28
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Chemically Stable Lipids for Membrane Protein Crystallization.
Cryst Growth Des, 17, 2017
5UL5
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BU of 5ul5 by Molmil
Crystal structure of RPE65 in complex with MB-004 and palmitate
Descriptor: (1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, FE (II) ION, ...
Authors:Kiser, P.D, Palczewski, K.
Deposit date:2017-01-24
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
5VN7
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BU of 5vn7 by Molmil
Structure of bacteriorhodopsin from crystals grown at 20 deg Celcius using GlyNCOC15+4 as an LCP host lipid
Descriptor: Bacteriorhodopsin
Authors:Ishchenko, A, Peng, L, Zinovev, E, Vlasov, A, Lee, S.C, Kuklin, A, Mishin, A, Borshchevskiy, V, Zhang, Q, Cherezov, V.
Deposit date:2017-04-28
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Chemically Stable Lipids for Membrane Protein Crystallization.
Cryst Growth Des, 17, 2017
7M2F
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BU of 7m2f by Molmil
CDK2 with compound 14 inhibitor with carboxylate
Descriptor: Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid
Authors:Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y.
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5T0F
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BU of 5t0f by Molmil
Crystal structure of the Myc3 N-terminal domain [44-242] in complex with JAZ10 CMID domain [16-58] from arabidopsis
Descriptor: Protein TIFY 9, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Brunzelle, J.S, He, S.Y, Xu, H.E, Melcher, K.
Deposit date:2016-08-16
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into alternative splicing-mediated desensitization of jasmonate signaling.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7SHI
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BU of 7shi by Molmil
Crystal Structure of Cytochrome P450 AmphL from Streptomyces nodosus and the Structural Basis for Substrate Selectivity in Macrolide Metabolizing P450s
Descriptor: AmphL, Amphotericin B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Amaya, J.A, Poulos, T.L.
Deposit date:2021-10-08
Release date:2022-03-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of P450 AmphL from Streptomyces nodosus provides insights into substrate selectivity of polyene macrolide antibiotic biosynthetic P450s.
J.Biol.Chem., 298, 2022
5IBH
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BU of 5ibh by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h
Descriptor: 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.0201 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016

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