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6DT1
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BU of 6dt1 by Molmil
Crystal structure of the ligase from bacteriophage T4 complexed with DNA intermediate
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2018-06-14
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:T4 DNA ligase structure reveals a prototypical ATP-dependent ligase with a unique mode of sliding clamp interaction.
Nucleic Acids Res., 46, 2018
2P7G
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BU of 2p7g by Molmil
X-ray Structure of Estrogen Related Receptor g in complex with Bisphenol A.
Descriptor: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma, SODIUM ION
Authors:Abad, M.C.
Deposit date:2007-03-20
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural determination of estrogen-related receptor gamma in the presence of phenol derivative compounds.
J.Steroid Biochem.Mol.Biol., 108, 2008
7WN8
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BU of 7wn8 by Molmil
Crystal structure of antibody (BC31M5) binds to CD47
Descriptor: BC31M5 Fab Heavy chain, BC31M5 Fab Light chain, Leukocyte surface antigen CD47, ...
Authors:Li, Y, Wang, W, Sui, J, Zhang, S.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A pH-dependent anti-CD47 antibody that selectively targets solid tumors and improves therapeutic efficacy and safety.
J Hematol Oncol, 16, 2023
2P7A
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BU of 2p7a by Molmil
Crystal Structure of Estrogen Related Receptor g in complex with 3-methyl phenol
Descriptor: 4-CHLORO-3-METHYLPHENOL, Estrogen-related receptor gamma
Authors:Abad, M.C.
Deposit date:2007-03-20
Release date:2008-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural determination of estrogen-related receptor gamma in the presence of phenol derivative compounds.
J.Steroid Biochem.Mol.Biol., 108, 2008
6DRT
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BU of 6drt by Molmil
Crystal structure of the processivity clamp GP45 complexed with recognition peptide of ligase from bacteriophage T4
Descriptor: 1,2-ETHANEDIOL, DNA polymerase clamp, GP45 recognition loop
Authors:Shi, K, Aihara, H.
Deposit date:2018-06-13
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:T4 DNA ligase structure reveals a prototypical ATP-dependent ligase with a unique mode of sliding clamp interaction.
Nucleic Acids Res., 46, 2018
6VOY
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BU of 6voy by Molmil
Cryo-EM structure of HTLV-1 instasome
Descriptor: DNA (25-MER), DNA (5'-D(P*AP*CP*AP*CP*AP*CP*TP*TP*GP*AP*CP*TP*AP*GP*GP*GP*TP*G)-3'), DNA-binding protein 7d, ...
Authors:Bhatt, V, Shi, K, Sundborger, A, Aihara, H.
Deposit date:2020-02-01
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of host protein hijacking in human T-cell leukemia virus integration.
Nat Commun, 11, 2020
2P7Z
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BU of 2p7z by Molmil
Estrogen Related Receptor Gamma in complex with 4-hydroxy-tamoxifen
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma
Authors:Abad, M.C.
Deposit date:2007-03-21
Release date:2008-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural determination of estrogen-related receptor gamma in the presence of phenol derivative compounds.
J.Steroid Biochem.Mol.Biol., 108, 2008
2CCD
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BU of 2ccd by Molmil
Crystal structure of the catalase-peroxidase (KatG) and S315T mutant from Mycobacterium tuberculosis
Descriptor: PEROXIDASE/CATALASE T, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yu, H, Sacchettini, J.C.
Deposit date:2006-01-16
Release date:2006-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydrogen Peroxide-Mediated Isoniazid Activation Catalyzed by Mycobacterium Tuberculosis Catalase- Peroxidase (Katg) and its S315T Mutant.
Biochemistry, 45, 2006
1I57
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BU of 1i57 by Molmil
CRYSTAL STRUCTURE OF APO HUMAN PTP1B (C215S) MUTANT
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHO-TYROSINE PHOSPHATASE 1B
Authors:Scapin, G, Patel, S, Patel, V, Kennedy, B, Asante-Appiah, E.
Deposit date:2001-02-26
Release date:2001-08-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of apo protein-tyrosine phosphatase 1B C215S mutant: more than just an S --> O change.
Protein Sci., 10, 2001
2FOI
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BU of 2foi by Molmil
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase.
Descriptor: 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
Authors:Freundlich, J.S, Shieh, H, Anderson, J.W, Kuo, M, Yu, M, Valderramos, J, Karagyozov, L, Tsai, H, Lucumi, E, Jacobs Jr, W.R, Schiehser, G.A, Jacobus, D.P, Fidock, D.A, Sacchettini, J.C.
Deposit date:2006-01-13
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray Structural Analysis of Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase as a Pathway toward the Optimization of Triclosan Antimalarial Efficacy.
J.Biol.Chem., 282, 2007
2LUZ
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BU of 2luz by Molmil
Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12
Descriptor: CalU16
Authors:Ramelot, T.A, Yang, Y, Lee, H, Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Wrobel, R.L, Bingman, C.A, Singh, S, Thorson, J.S, Prestegard, J.H, Montelione, G.T, Phillips Jr, G.N, Kennedy, M.A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-22
Release date:2012-10-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
2EW5
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BU of 2ew5 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
Descriptor: 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE, COBALT (II) ION, peptide deformylase
Authors:Cai, J.
Deposit date:2005-11-02
Release date:2006-10-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
2EW6
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BU of 2ew6 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
Descriptor: (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase
Authors:Cai, J.
Deposit date:2005-11-02
Release date:2006-10-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
3PE6
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BU of 3pe6 by Molmil
Crystal Structure of a soluble form of human MGLL in complex with an inhibitor
Descriptor: (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone, Monoglyceride lipase
Authors:Schubert, C, Schalk-Hih, C.
Deposit date:2010-10-25
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 A resolution.
Protein Sci., 20, 2011
2EW7
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BU of 2ew7 by Molmil
Crystal Structure of Helicobacter Pylori peptide deformylase
Descriptor: COBALT (II) ION, peptide deformylase
Authors:Cai, J.
Deposit date:2005-11-02
Release date:2006-10-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
2NQ8
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BU of 2nq8 by Molmil
Malarial enoyl acyl ACP reductase bound with INH-NAD adduct
Descriptor: Enoyl-acyl carrier reductase, ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Authors:Freundlich, J.S, Yu, M, Lucumi, E, Kuo, M, Tsai, H.C, Valderramos, J.C, Karagyozov, L, Jacobs Jr, W.R, Schiehser, G.A, Fidock, D.A, Jacobus, D.P, Sacchettini, J.C.
Deposit date:2006-10-30
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
7E1T
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BU of 7e1t by Molmil
Crystal structure of Rab9A-GTP-Nde1
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Isoform 2 of Nuclear distribution protein nudE homolog 1, MAGNESIUM ION, ...
Authors:Zhang, Y, Zhang, T, Ding, J.
Deposit date:2021-02-03
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Nde1 is a Rab9 effector for loading late endosomes to cytoplasmic dynein motor complex.
Structure, 30, 2022
1DNV
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BU of 1dnv by Molmil
PARVOVIRUS (DENSOVIRUS) FROM GALLERIA MELLONELLA
Descriptor: GALLERIA MELLONELLA DENSOVIRUS CAPSID PROTEIN
Authors:Simpson, A.A, Chipmann, P.R, Baker, T.S, Tijssen, P, Rossmann, M.G.
Deposit date:1998-07-22
Release date:1999-02-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The structure of an insect parvovirus (Galleria mellonella densovirus) at 3.7 A resolution.
Structure, 6, 1998
4AFE
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BU of 4afe by Molmil
Nek2 bound to hybrid compound 21
Descriptor: 1,2-ETHANEDIOL, 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Yeoh, S, Innocenti, P, Hoelder, S, Bayliss, R.
Deposit date:2012-01-19
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity.
J.Med.Chem., 55, 2012
7YTV
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BU of 7ytv by Molmil
Crystal structure of Aspergillus fumigatus Thioredoxin reductase in complex with auranofin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase
Authors:Lin, W.
Deposit date:2022-08-16
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.866 Å)
Cite:In vitro antifungal and antibiofilm activities of auranofin against itraconazole-resistant Aspergillus fumigatus.
J Mycol Med, 33, 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
4A4X
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BU of 4a4x by Molmil
NEK2-EDE bound to CCT248662
Descriptor: 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2011-10-20
Release date:2012-04-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity.
J.Med.Chem., 55, 2012
7EPZ
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BU of 7epz by Molmil
Overall structure of Erastin-bound xCT-4F2hc complex
Descriptor: 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-04-28
Release date:2022-04-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis.
Cell Res., 32, 2022
4CLC
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BU of 4clc by Molmil
Crystal structure of Ybr137w protein
Descriptor: UPF0303 PROTEIN YBR137W
Authors:Yeh, Y.-H, Lin, T.-W, Lin, C.-Y, Hsiao, C.-D.
Deposit date:2014-01-14
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Functional Characterization of Ybr137Wp Implicate its Involvement in the Targeting of Tail-Anchored Proteins to Membranes.
Mol.Cell.Biol., 34, 2014
7KHY
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BU of 7khy by Molmil
Crystal structure of OXA-163 K73A in complex with meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V.
Deposit date:2020-10-22
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021

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