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5GTJ
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BU of 5gtj by Molmil
CRYSTAL STRUCTURE OF CATALYTICALLY ACTIVE FORM OF HUMAN DUSP26
Descriptor: Dual specificity protein phosphatase 26, PHOSPHATE ION
Authors:Won, E.-Y, Kim, S.J, Chi, S.-W.
Deposit date:2016-08-21
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insight into the Critical Role of the N-Terminal Region in the Catalytic Activity of Dual-Specificity Phosphatase 26
Plos One, 11, 2016
1RYQ
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BU of 1ryq by Molmil
Putative DNA-directed RNA polymerase, subunit e'' from Pyrococcus Furiosus Pfu-263306-001
Descriptor: DNA-directed RNA polymerase, subunit e'', ZINC ION
Authors:Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Arendall III, W.B, Rose, J.P, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-12-22
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Parameter-space screening: a powerful tool for high-throughput crystal structure determination.
Acta Crystallogr.,Sect.D, 61, 2005
5CRV
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BU of 5crv by Molmil
Crystal structure of the Bro domain of HD-PTP in a complex with the core region of STAM2
Descriptor: GLYCEROL, Signal transducing adapter molecule 2, Tyrosine-protein phosphatase non-receptor type 23
Authors:Lee, J, Ku, B, Kim, S.J.
Deposit date:2015-07-23
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural Study of the HD-PTP Bro1 Domain in a Complex with the Core Region of STAM2, a Subunit of ESCRT-0
Plos One, 11, 2016
5CRU
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BU of 5cru by Molmil
Crystal structure of the Bro domain of HD-PTP
Descriptor: Tyrosine-protein phosphatase non-receptor type 23
Authors:Lee, J, Ku, B, Kim, S.J.
Deposit date:2015-07-23
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Study of the HD-PTP Bro1 Domain in a Complex with the Core Region of STAM2, a Subunit of ESCRT-0
Plos One, 11, 2016
1QJG
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BU of 1qjg by Molmil
Crystal structure of delta5-3-ketosteroid isomerase from Pseudomonas testosteroni in complex with equilenin
Descriptor: EQUILENIN, KETOSTEROID ISOMERASE, SULFATE ION
Authors:Cho, H.-S, Oh, B.-H.
Deposit date:1999-06-24
Release date:1999-11-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Delta-5-3-Ketosteroid Isomerase from Pseudomonas Testosteroni in Complex with Equilenin Settles the Correct Hydrogen Scheme for Transition-State Stabilization
J.Biol.Chem., 274, 1999
6K8W
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BU of 6k8w by Molmil
Crystal structure of N-domain with NADP of baterial malonyl-CoA reductase
Descriptor: NAD-dependent epimerase/dehydratase:Short-chain dehydrogenase/reductase SDR, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Kim, S, Kim, K.-J.
Deposit date:2019-06-13
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Structural insight into bi-functional malonyl-CoA reductase.
Environ.Microbiol., 22, 2020
6KBV
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BU of 6kbv by Molmil
Three-dimensional cytoplasmic membrane-bound structure of VG16KRKP-KYE28
Descriptor: Heparin cofactor 2, VG16KRKP
Authors:Ilyas, H, Bhunia, A.
Deposit date:2019-06-26
Release date:2019-08-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural insights into the combinatorial effects of antimicrobial peptides reveal a role of aromatic-aromatic interactions in antibacterial synergism.
J.Biol.Chem., 294, 2019
6K8S
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BU of 6k8s by Molmil
Crystal structure of C-domain of baterial malonyl-CoA reductase
Descriptor: GLYCEROL, NAD-dependent epimerase/dehydratase:Short-chain dehydrogenase/reductase SDR, SULFATE ION
Authors:Kim, S, Kim, K.-J.
Deposit date:2019-06-13
Release date:2020-03-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into bi-functional malonyl-CoA reductase.
Environ.Microbiol., 22, 2020
6K8U
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BU of 6k8u by Molmil
Crystal structure of C-domain with NADP of baterial malonyl-CoA reductase
Descriptor: GLYCEROL, NAD-dependent epimerase/dehydratase:Short-chain dehydrogenase/reductase SDR, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Kim, S, Kim, K.-J.
Deposit date:2019-06-13
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into bi-functional malonyl-CoA reductase.
Environ.Microbiol., 22, 2020
4TN5
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BU of 4tn5 by Molmil
Crystal Structure of Predicted Fructose Specific IIB from Escherichia Coli
Descriptor: Fructose-like phosphotransferase enzyme IIB component 3, NICKEL (II) ION
Authors:Kim, M.S, Shin, D.H.
Deposit date:2014-06-03
Release date:2015-06-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:High-accuracy protein modeling and its application to molecular replacement of crystallographic phasing
To Be Published
6URC
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BU of 6urc by Molmil
Crystal structure of IRE1a in complex with compound 18
Descriptor: 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Wallweber, H.H, Wang, W.
Deposit date:2019-10-23
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2GO9
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BU of 2go9 by Molmil
RRM domains 1 and 2 of Prp24 from S. cerevisiae
Descriptor: U4/U6 snRNA-associated splicing factor PRP24
Authors:Reiter, N.J, Lee, D.H, Tonelli, M, Kwan, S.K, Brow, D.A, Butcher, S.E.
Deposit date:2006-04-12
Release date:2007-02-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure and interactions of the first three RNA recognition motifs of splicing factor prp24.
J.Mol.Biol., 367, 2007
6W32
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BU of 6w32 by Molmil
Crystal structure of Sfh5
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Phosphatidylinositol transfer protein SFH5
Authors:Gulten, G, Khan, D, Aggarwal, A, Krieger, I, Sacchettini, J.C, Bankaitis, V.A.
Deposit date:2020-03-08
Release date:2020-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Sec14-like phosphatidylinositol transfer protein paralog defines a novel class of heme-binding proteins.
Elife, 9, 2020
4B04
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BU of 4b04 by Molmil
Crystal structure of the Catalytic Domain of Human DUSP26 (C152S)
Descriptor: DUAL SPECIFICITY PROTEIN PHOSPHATASE 26
Authors:Won, E.-Y, Lee, D.Y, Park, S.G, Yokoyama, S, Kim, S.J, Chi, S.-W.
Deposit date:2012-06-28
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:High-Resolution Crystal Structure of the Catalytic Domain of Human Dual-Specificity Phosphatase 26
Acta Crystallogr.,Sect.D, 69, 2013
4BBW
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BU of 4bbw by Molmil
The crystal structure of Sialidase VPI 5482 (BTSA) from Bacteroides thetaiotaomicron
Descriptor: SIALIDASE (NEURAMINIDASE)
Authors:Park, K.-H, Song, H.-N, Jung, T.-Y, Lee, M.-H, Woo, E.-J.
Deposit date:2012-09-28
Release date:2013-08-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Characterization of the Broad Substrate Specificity of Bacteroides Thetaiotaomicron Commensal Sialidase.
Biochim.Biophys.Acta, 1834, 2013
8GD0
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BU of 8gd0 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with TFH-I-070-A6
Descriptor: (3S)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GD1
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BU of 8gd1 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-092
Descriptor: (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GJT
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BU of 8gjt by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with TFH-I-116-D1
Descriptor: (3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-16
Release date:2023-06-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GCZ
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BU of 8gcz by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-090
Descriptor: (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nguyen, D.N, Tolbert, W.D, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GD5
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BU of 8gd5 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-102
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HS clade A/E CRF01 gp120 core, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GD3
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BU of 8gd3 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-101
Descriptor: (3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
9B2H
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BU of 9b2h by Molmil
HIV-1 wild type protease with GRL-072-17A, a substituted tetrahydrofuran derivative based on Darunavir as P2 group
Descriptor: 2,5:6,9-dianhydro-1,3,7,8-tetradeoxy-4-O-({(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamoyl)-L-gluco-nonitol, CHLORIDE ION, FORMIC ACID, ...
Authors:Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T.
Deposit date:2024-03-15
Release date:2024-07-24
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Design of substituted tetrahydrofuran derivatives for HIV-1 protease inhibitors: synthesis, biological evaluation, and X-ray structural studies.
Org.Biomol.Chem., 22, 2024
5JQ2
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BU of 5jq2 by Molmil
Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with N-palmitoylglycine
Descriptor: N-PALMITOYLGLYCINE, P450 BM3 L407C heme domain mutant, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kloos, M.
Deposit date:2016-05-04
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies.
Biochim.Biophys.Acta, 1864, 2016
5JTD
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BU of 5jtd by Molmil
Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with DMSO.
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kloos, M.
Deposit date:2016-05-09
Release date:2016-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies.
Biochim.Biophys.Acta, 1864, 2016
2LJW
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BU of 2ljw by Molmil
Solution NMR structure of Alr2454 protein from Nostoc sp. strain PCC 7120, Northeast Structural Genomics Consortium Target NsR264
Descriptor: Alr2454 protein
Authors:Aramini, J.M, Lee, D, Ciccosanti, C, Janjua, H, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-29
Release date:2011-10-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of Alr2454 from Nostoc sp. PCC 7120, the first structural representative of Pfam domain family PF11267.
J.Struct.Funct.Genom., 13, 2012

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