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6PU7
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BU of 6pu7 by Molmil
Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide)
Descriptor: Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lesburg, C.A.
Deposit date:2019-07-17
Release date:2019-12-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.
Acs Med.Chem.Lett., 10, 2019
5XW2
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BU of 5xw2 by Molmil
Crystal structure of the Hydroxylase HmtN in C 1 2 1 crystal form
Descriptor: Cytochrome P450 107B1 (P450CVIIB1), GLYCEROL, MAGNESIUM ION, ...
Authors:Zhang, H.D, Zhang, H.J.
Deposit date:2017-06-29
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Molecular characterization of the hydroxylase HmtN at 1.3 angstrom resolution.
Biochem. Biophys. Res. Commun., 2017
4RT4
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BU of 4rt4 by Molmil
Crystal structure of Dpy30 complexed with Bre2
Descriptor: Peptide from COMPASS component BRE2, Protein dpy-30 homolog
Authors:Zhang, H.M, Li, M, Chang, W.R.
Deposit date:2014-11-12
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structural implications of Dpy30 oligomerization for MLL/SET1 COMPASS H3K4 trimethylation
Protein Cell, 6, 2015
4RTA
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BU of 4rta by Molmil
Cystal structure of the Dpy30 for MLL/SET1 COMPASS H3K4 trimethylation
Descriptor: FORMIC ACID, Protein dpy-30 homolog
Authors:Zhang, H.M, Li, M, Chang, W.R.
Deposit date:2014-11-14
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.123 Å)
Cite:Structural implications of Dpy30 oligomerization for MLL/SET1 COMPASS H3K4 trimethylation.
Protein Cell, 6, 2015
5K25
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BU of 5k25 by Molmil
Crystal structure of human phosphatase PRL-2 in complex with the ADP-bound Bateman domain of human magnesium transporter CNNM3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Metal transporter CNNM3, Protein tyrosine phosphatase type IVA 2
Authors:Gulerez, I, Kozlov, G, Gehring, K.
Deposit date:2016-05-18
Release date:2016-10-12
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:PRL3 phosphatase active site is required for binding the putative magnesium transporter CNNM3.
Sci Rep, 7, 2017
5K23
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BU of 5k23 by Molmil
Crystal structure of the complex between human phosphatase PRL-2 in the oxidized state with the Bateman domain of human magnesium transporter CNNM3
Descriptor: Metal transporter CNNM3, Protein tyrosine phosphatase type IVA 2
Authors:Gulerez, I, Kozlov, G, Gehring, K.
Deposit date:2016-05-18
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:PRL3 phosphatase active site is required for binding the putative magnesium transporter CNNM3.
Sci Rep, 7, 2017
5K24
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BU of 5k24 by Molmil
Crystal structure of the complex between phosphatase PRL-2 in the oxidized state with the Bateman domain of murine magnesium transporter CNNM3
Descriptor: CITRATE ANION, Metal transporter CNNM3, Protein tyrosine phosphatase type IVA 2
Authors:Kozlov, G, Gulerez, I, Gehring, K.
Deposit date:2016-05-18
Release date:2016-10-12
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:PRL3 phosphatase active site is required for binding the putative magnesium transporter CNNM3.
Sci Rep, 7, 2017
8HYJ
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BU of 8hyj by Molmil
A cryo-EM structure of KTF1-bound polymerase V transcription elongation complex
Descriptor: DNA (48-MER), DNA-directed RNA polymerase V subunit 1, DNA-directed RNA polymerase V subunit 5A, ...
Authors:Zhang, H, Zhang, Y.
Deposit date:2023-01-06
Release date:2023-06-21
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:A cryo-EM structure of KTF1-bound polymerase V transcription elongation complex.
Nat Commun, 14, 2023
5WYS
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BU of 5wys by Molmil
luciferase with inhibitor 3i
Descriptor: 5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid, Luciferin 4-monooxygenase
Authors:Gu, L, Su, J, Wang, F.
Deposit date:2017-01-15
Release date:2017-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Inhibiting Firefly Bioluminescence by Chalcones
Anal. Chem., 89, 2017
7PZJ
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BU of 7pzj by Molmil
Structure of a bacteroidetal polyethylene terephthalate (PET) esterase
Descriptor: Lipase, POTASSIUM ION
Authors:Zang, H, Dierkes, R, Perez-Garcia, P, Weigert, S, Sternagel, S, Hallam, S.J, Applegate, V, Schumacher, J, Schott, T, Pleiss, J, Almeida, A, Hoecker, B, Smits, S.H, Schmitz, R.A, Chow, J, Streit, W.R.
Deposit date:2021-10-12
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Bacteroidetes Aequorivita sp. and Kaistella jeonii Produce Promiscuous Esterases With PET-Hydrolyzing Activity.
Front Microbiol, 12, 2021
1RCS
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BU of 1rcs by Molmil
NMR STUDY OF TRP REPRESSOR-OPERATOR DNA COMPLEX
Descriptor: DNA (5'-D(*CP*GP*TP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*AP*CP*G)-3'), TRP REPRESSOR, TRYPTOPHAN
Authors:Zhao, D, Zheng, Z.
Deposit date:1995-05-12
Release date:1996-06-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structures of the trp repressor-operator DNA complex.
J.Mol.Biol., 238, 1994
5YAT
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BU of 5yat by Molmil
Crystal structure of mitochondrial alcohol dehydrogenase isozyme III from Komagataella phaffii GS115
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Mitochondrial alcohol dehydrogenase isozyme III, ...
Authors:Zhang, H.D, Li, Q.
Deposit date:2017-09-01
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.745 Å)
Cite:Investigation of structure and function of mitochondrial alcohol dehydrogenase isozyme III from Komagataella phaffii GS115.
Biochim. Biophys. Acta, 1862, 2018
4B5D
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BU of 4b5d by Molmil
Capitella teleta AChBP in complex with psychonicline (3-((2(S)- Azetidinyl)methoxy)-5-((1S,2R)-2-(2-hydroxyethyl)cyclopropyl)pyridine)
Descriptor: 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nys, M, Ulens, C.
Deposit date:2012-08-03
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:Insights Into the Structural Determinants Required for High- Affinity Binding of Chiral Cyclopropane-Containing Ligands to Alpha4Beta2-Nicotinic Acetylcholine Receptors: An Integrated Approach to Behaviorally Active Nicotinic Ligands.
J.Med.Chem., 55, 2012
8X5D
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BU of 8x5d by Molmil
The cryo-EM structure of the Mycobacterium tuberculosis CRISPR-Csm complex
Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm5, Csm2, ...
Authors:Liu, M.X, Li, Z.K.
Deposit date:2023-11-17
Release date:2024-03-06
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Type-III-A structure of mycobacteria CRISPR-Csm complexes involving atypical crRNAs.
Int.J.Biol.Macromol., 260, 2024
8QBJ
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BU of 8qbj by Molmil
Structure of mBaoJin at pH 4.6
Descriptor: CHLORIDE ION, mBaoJin
Authors:Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V.
Deposit date:2023-08-24
Release date:2023-12-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bright and stable monomeric green fluorescent protein derived from StayGold.
Nat.Methods, 21, 2024
8QDD
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BU of 8qdd by Molmil
Structure of mBaoJin at pH 8.5
Descriptor: CHLORIDE ION, SULFATE ION, mBaoJin
Authors:Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V.
Deposit date:2023-08-28
Release date:2023-12-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bright and stable monomeric green fluorescent protein derived from StayGold.
Nat.Methods, 21, 2024
8Q79
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BU of 8q79 by Molmil
Structure of mBaoJin at pH 6.5
Descriptor: CHLORIDE ION, mBaoJin
Authors:Samygina, V.R, Subach, O.M, Vlaskina, A.V, Nikolaeva, A.Y, Borshchevsky, V, Qin, W, Subach, F.V.
Deposit date:2023-08-15
Release date:2023-12-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Bright and stable monomeric green fluorescent protein derived from StayGold.
Nat.Methods, 21, 2024
3BC5
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BU of 3bc5 by Molmil
X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid
Descriptor: (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid, Peroxisome proliferator-activated receptor gamma
Authors:Muckelbauer, J.K.
Deposit date:2007-11-12
Release date:2008-11-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists.
Bioorg.Med.Chem.Lett., 19, 2009
6XP5
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BU of 6xp5 by Molmil
Head-Middle module of Mediator
Descriptor: HEAT, Med22, Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Zhang, H.Q, Chen, D.C, Kornberg, R.D.
Deposit date:2020-07-08
Release date:2021-03-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Mediator structure and conformation change.
Mol.Cell, 81, 2021
6WNK
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BU of 6wnk by Molmil
Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome
Descriptor: (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide, CITRIC ACID, DIMETHYLFORMAMIDE, ...
Authors:Hsu, H.C, Li, H.
Deposit date:2020-04-22
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome.
J.Med.Chem., 64, 2021
4KBQ
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BU of 4kbq by Molmil
Structure of the CHIP-TPR domain in complex with the Hsc70 Lid-Tail domains
Descriptor: E3 ubiquitin-protein ligase CHIP, Heat shock cognate 71 kDa protein
Authors:Page, R.C, Amick, J, Nix, J.C, Misra, S.
Deposit date:2013-04-23
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:A Bipartite Interaction between Hsp70 and CHIP Regulates Ubiquitination of Chaperoned Client Proteins.
Structure, 23, 2015
6UCG
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BU of 6ucg by Molmil
Retinoic acid receptor-related orphan receptor (ROR) gamma in complex with allosteric compound 28
Descriptor: (3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid, Nuclear receptor ROR-gamma
Authors:Palte, R.L, Parthasarathy, G.
Deposit date:2019-09-16
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Discovery ofN-(Indazol-3-yl)piperidine-4-carboxylic Acids as ROR gamma t Allosteric Inhibitors for Autoimmune Diseases.
Acs Med.Chem.Lett., 11, 2020
5YH3
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BU of 5yh3 by Molmil
The structure of hFam20C and hFam20A complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Extracellular serine/threonine protein kinase FAM20C, Pseudokinase FAM20A
Authors:Zhu, Q, Xiao, J.
Deposit date:2017-09-27
Release date:2018-04-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and evolution of the Fam20 kinases
Nat Commun, 9, 2018
6JYV
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BU of 6jyv by Molmil
Structure of an isopenicillin N synthase from Pseudomonas aeruginosa PAO1
Descriptor: Probable iron/ascorbate oxidoreductase, SODIUM ION
Authors:Hao, Z, Che, S, Wang, R, Liu, R, Zhang, Q, Bartlam, M.
Deposit date:2019-04-28
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Structural characterization of an isopenicillin N synthase family oxygenase from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 514, 2019
8WFX
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BU of 8wfx by Molmil
Cryo-EM structure of CRISPR-Csm effector complex from Mycobacterium canettii
Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ...
Authors:Huo, Y, Ma, X, Jiang, T.
Deposit date:2023-09-20
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Type-III-A structure of mycobacteria CRISPR-Csm complexes involving atypical crRNAs.
Int.J.Biol.Macromol., 260, 2024

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