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4OGT
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BU of 4ogt by Molmil
Co-Crystal Structure of MDM2 with Inhbitor Compound 46
Descriptor: 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
Deposit date:2014-01-16
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5361 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4OBA
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BU of 4oba by Molmil
Co-crystal structure of MDM2 with Inhibitor Compound 4
Descriptor: E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Authors:Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
Deposit date:2014-01-07
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OCC
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BU of 4occ by Molmil
co-crystal structure of MDM2(17-111) in complex with compound 48
Descriptor: E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Authors:Huang, X.
Deposit date:2014-01-08
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4ODF
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BU of 4odf by Molmil
Co-Crystal Structure of MDM2 with Inhibitor Compound 47
Descriptor: 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2
Authors:Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
Deposit date:2014-01-10
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2006 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
6OAM
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BU of 6oam by Molmil
Crystal Structure of ChlaDUB2 DUB domain
Descriptor: Deubiquitinase and deneddylase Dub2, Ubiquitin
Authors:Hausman, J.M, Das, C.
Deposit date:2019-03-17
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:The Two Deubiquitinating Enzymes fromChlamydia trachomatisHave Distinct Ubiquitin Recognition Properties.
Biochemistry, 59, 2020
7VEY
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BU of 7vey by Molmil
Crystal structure of Cyclosorus parasiticus chalcone synthase 1 (CpCHS1)
Descriptor: chalcone synthases
Authors:Li, J.X, Cheng, A.X.
Deposit date:2021-09-10
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional and Structural Investigation of Chalcone Synthases Based on Integrated Metabolomics and Transcriptome Analysis on Flavonoids and Anthocyanins Biosynthesis of the Fern Cyclosorus parasiticus .
Front Plant Sci, 12, 2021
7VEZ
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BU of 7vez by Molmil
Crystal structure of Cyclosorus parasiticus chalcone synthase 1 (CpCHS1) complex with naringenin
Descriptor: NARINGENIN, chalcone synthases 1
Authors:Li, J.X, Cheng, A.X.
Deposit date:2021-09-10
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Functional and Structural Investigation of Chalcone Synthases Based on Integrated Metabolomics and Transcriptome Analysis on Flavonoids and Anthocyanins Biosynthesis of the Fern Cyclosorus parasiticus .
Front Plant Sci, 12, 2021
7VF0
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BU of 7vf0 by Molmil
Crystal structure of Cyclosorus parasiticus chalcone synthase 1 (CpCHS1) complex with naringenin and CoA
Descriptor: COENZYME A, NARINGENIN, chalcone synthase
Authors:Li, J.X, Cheng, A.X.
Deposit date:2021-09-10
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Functional and Structural Investigation of Chalcone Synthases Based on Integrated Metabolomics and Transcriptome Analysis on Flavonoids and Anthocyanins Biosynthesis of the Fern Cyclosorus parasiticus .
Front Plant Sci, 12, 2021
1I3Q
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BU of 1i3q by Molmil
RNA POLYMERASE II CRYSTAL FORM I AT 3.1 A RESOLUTION
Descriptor: DNA-DIRECTED RNA POLYMERASE II 13.6KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.2KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.5KD POLYPEPTIDE, ...
Authors:Cramer, P, Bushnell, D.A, Kornberg, R.D.
Deposit date:2001-02-15
Release date:2001-04-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of transcription: RNA polymerase II at 2.8 angstrom resolution.
Science, 292, 2001
1I50
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BU of 1i50 by Molmil
RNA POLYMERASE II CRYSTAL FORM II AT 2.8 A RESOLUTION
Descriptor: DNA-DIRECTED RNA POLYMERASE II 13.6KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.2KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.5KD POLYPEPTIDE, ...
Authors:Cramer, P, Bushnell, D.A, Kornberg, R.D.
Deposit date:2001-02-23
Release date:2001-04-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of transcription: RNA polymerase II at 2.8 angstrom resolution.
Science, 292, 2001
7CR2
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BU of 7cr2 by Molmil
human KCNQ2 in complex with retigabine
Descriptor: Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR7
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BU of 7cr7 by Molmil
human KCNQ2-CaM in complex with retigabine
Descriptor: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR0
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BU of 7cr0 by Molmil
human KCNQ2 in apo state
Descriptor: Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR3
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BU of 7cr3 by Molmil
human KCNQ2-CaM in apo state
Descriptor: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR1
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BU of 7cr1 by Molmil
human KCNQ2 in complex with ztz240
Descriptor: N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR4
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BU of 7cr4 by Molmil
human KCNQ2-CaM in complex with ztz240
Descriptor: Calmodulin-3, N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
6ULH
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BU of 6ulh by Molmil
Structure of MavC in complex with its substrate in R3 spacegroup
Descriptor: LPG2147 (MavC), Ubiquitin, Ubiquitin-conjugating enzyme E2 N
Authors:Iyer, S, Puvar, K, Das, C.
Deposit date:2019-10-08
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
6UMS
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BU of 6ums by Molmil
Crystal structure of MavC in complex with its substrate mimic in C222(1) space group
Descriptor: MavC, Ubiquitin, Ubiquitin-conjugating enzyme E2 N
Authors:Iyer, S, Puvar, K, Das, C.
Deposit date:2019-10-10
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.344 Å)
Cite:Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
6UMP
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BU of 6ump by Molmil
Crystal structure of MavC in complex with substrate mimic in P65 space group
Descriptor: MavC, Ubiquitin, Ubiquitin-conjugating enzyme E2 N
Authors:Puvar, K, Iyer, S, Luo, Z.Q, Das, C.
Deposit date:2019-10-10
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
6BWE
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BU of 6bwe by Molmil
Sortase A from Corynebacterium diphtheriae, lid mutant
Descriptor: Putative fimbrial associated sortase-like protein
Authors:Osipiuk, J, Chang, C, Huang, I.H, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-12-14
Release date:2017-12-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:In vitro reconstitution of sortase-catalyzed pilus polymerization reveals structural elements involved in pilin cross-linking.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6P5H
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BU of 6p5h by Molmil
Structure of MavC middle insertion domain
Descriptor: MavC
Authors:Negron Teron, K.I, Puvar, K, Iyer, S, Das, C.
Deposit date:2019-05-30
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
6P5B
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BU of 6p5b by Molmil
Crystal Structure of MavC in Complex with Ub-UbE2N
Descriptor: MavC, Ubiquitin, Ubiquitin-conjugating enzyme E2 N
Authors:Puvar, K, Iyer, S, Negron Teron, K.I, Das, C.
Deposit date:2019-05-30
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
6MAE
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BU of 6mae by Molmil
CHAIN A. UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase PA-LPXC Complexed with (R)-3-((S)-3-(4-(cyclopropylethynyl)phenyl)-2-oxooxazolidin-5-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)propenamide
Descriptor: (2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Shu, W.
Deposit date:2018-08-27
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline.
J. Med. Chem., 61, 2018
5Y70
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BU of 5y70 by Molmil
NMR structure of KMP11 in DPC micelle
Descriptor: Kinetoplastid membrane protein 11
Authors:Lu, Y, Lim, L.Z, Song, J.
Deposit date:2017-08-16
Release date:2018-02-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Kinetoplastid membrane protein-11 adopts a four-helix bundle fold in DPC micelle.
FEBS Lett., 591, 2017
5IE8
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BU of 5ie8 by Molmil
The pyrazinoic acid binding domain of Ribosomal Protein S1 from Mycobacterium tuberculosis
Descriptor: 30S ribosomal protein S1
Authors:Huang, B, Liao, X.
Deposit date:2016-02-25
Release date:2016-03-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:(1)H, (15)N, (13)C resonance assignments for pyrazinoic acid binding domain of ribosomal protein S1 from Mycobacterium tuberculosis
Biomol NMR Assign, 10, 2016

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