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6D0I
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BU of 6d0i by Molmil
ParT: Prs ADP-ribosylating toxin bound to cognate antitoxin ParS. L48M ParT, SeMet-substituted complex.
Descriptor: GLYCEROL, ParS: COG5642 (DUF2384) antitoxin fragment, ParT: COG5654 (RES domain) toxin
Authors:Piscotta, F.J, Jeffrey, P.D, Link, A.J.
Deposit date:2018-04-10
Release date:2019-01-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:ParST is a widespread toxin-antitoxin module that targets nucleotide metabolism.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6D17
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BU of 6d17 by Molmil
Crystal structure of KPC-2 complexed with compound 3
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1R
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BU of 6d1r by Molmil
Structure of Staphylococcus aureus RNase P protein at 2.0 angstrom
Descriptor: Ribonuclease P protein component
Authors:Ha, L, Colquhoun, J, Noinaj, N, Das, C, Dunman, P, Flaherty, D.P.
Deposit date:2018-04-12
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Crystal structure of the ribonuclease-P-protein subunit from Staphylococcus aureus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6D20
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BU of 6d20 by Molmil
Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one and 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide Inhibitors
Descriptor: 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide, High affinity nerve growth factor receptor
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
6D3H
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BU of 6d3h by Molmil
FT_T dioxygenase with bound dichlorprop
Descriptor: (2R)-2-(2,4-dichlorophenoxy)propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Rydel, T.J, Halls, C.E.
Deposit date:2018-04-16
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6CWP
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BU of 6cwp by Molmil
X-ray crystal structure of Flavobacterium johnsoniae dimanganese(II) ribonucleotide reductase beta subunit (anaerobic)
Descriptor: MANGANESE (II) ION, Ribonucleotide reductase, VAL-GLU-TYR-THR-LYS-HIS
Authors:Maggiolo, A.O, Rose, H.R, Boal, A.K.
Deposit date:2018-03-30
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Basis for Superoxide Activation of Flavobacterium johnsoniae Class I Ribonucleotide Reductase and for Radical Initiation by Its Dimanganese Cofactor.
Biochemistry, 57, 2018
6CUQ
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BU of 6cuq by Molmil
Crystal structure of Macrophage migration inhibitory factor-like protein (EhMIF) from Entamoeba histolytica
Descriptor: 1,2-ETHANEDIOL, Macrophage migration inhibitory factor-like protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-03-26
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of Macrophage migration inhibitory factor-like protein (EhMIF) from Entamoeba histolytica
to be published
6CXT
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BU of 6cxt by Molmil
Crystal structure of FAD-dependent dehydrogenase
Descriptor: 1,2-ETHANEDIOL, Alpha/beta hydrolase fold protein, Butyryl-CoA dehydrogenase, ...
Authors:Agarwal, V.
Deposit date:2018-04-04
Release date:2019-01-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into Thiotemplated Pyrrole Biosynthesis Gained from the Crystal Structure of Flavin-Dependent Oxidase in Complex with Carrier Protein.
Biochemistry, 58, 2019
6CVO
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BU of 6cvo by Molmil
Human Aprataxin (Aptx) bound to nicked RNA-DNA, AMP and Zn product complex
Descriptor: ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ...
Authors:Schellenberg, M.J, Tumbale, P.P, Williams, R.S.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6CY4
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BU of 6cy4 by Molmil
RNA octamer containing 2'-OMe, 4'- Cbeta-OMe U.
Descriptor: RNA (5'-R(*(CBV)P*GP*AP*AP*(UOB)P*UP*CP*G)-3')
Authors:Harp, J.M, Egli, M.
Deposit date:2018-04-04
Release date:2018-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity.
Nucleic Acids Res., 46, 2018
6CVZ
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BU of 6cvz by Molmil
Crystal structure of the WD40-repeat of RFWD3
Descriptor: E3 ubiquitin-protein ligase RFWD3, MAGNESIUM ION
Authors:DONG, A, LOPPNAU, P, SEITOVA, A, HUTCHINSON, A, TEMPEL, W, WEI, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, TONG, Y, Structural Genomics Consortium (SGC)
Deposit date:2018-03-29
Release date:2018-06-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
6CWC
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BU of 6cwc by Molmil
Crystal structure of SpaA-SLH
Descriptor: CHLORIDE ION, SULFATE ION, Surface (S-) layer glycoprotein
Authors:Blackler, R.J, Evans, S.V.
Deposit date:2018-03-30
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of cell wall anchoring by SLH domains in Paenibacillus alvei.
Nat Commun, 9, 2018
6CYP
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BU of 6cyp by Molmil
Crystal structure analysis of the H75I mutant of Superoxide Dismutase from Trichoderma reesei
Descriptor: FE (III) ION, Superoxide dismutase
Authors:Mendoza Rengifo, E, Ferreira Jr, J.R.S, Garratt, R.C.
Deposit date:2018-04-06
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Mn Superoxide Dismutase double mutant (G74Q+Q149G) from Trichoderma reesei
To Be Published
6CZQ
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BU of 6czq by Molmil
A V-to-F substitution in SK2 channels causes Ca2+ hypersensitivity and improves locomotion in a C. elegans ALS model
Descriptor: CALCIUM ION, Calmodulin-1, SULFATE ION, ...
Authors:Nam, Y.W, Zhang, M.
Deposit date:2018-04-09
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A V-to-F substitution in SK2 channels causes Ca2+hypersensitivity and improves locomotion in a C. elegans ALS model.
Sci Rep, 8, 2018
8IIY
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BU of 8iiy by Molmil
Crystal structure of MBP fused GAS41 YEATS domain in complex with H3K14ac peptide
Descriptor: GLYCEROL, Histone H3.1, Maltodextrin-binding protein,YEATS domain-containing protein 4, ...
Authors:Kikuchi, M, Umehara, T.
Deposit date:2023-02-24
Release date:2023-11-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:GAS41 promotes H2A.Z deposition through recognition of the N terminus of histone H3 by the YEATS domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
6D18
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BU of 6d18 by Molmil
Crystal structure of KPC-2 complexed with compound 6
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
8IIZ
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BU of 8iiz by Molmil
Crystal structure of MBP fused GAS41 YEATS domain in complex with H3K27ac peptide
Descriptor: GLYCEROL, Histone H3.1, Maltodextrin-binding protein,YEATS domain-containing protein 4, ...
Authors:Kikuchi, M, Umehara, T.
Deposit date:2023-02-24
Release date:2023-11-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:GAS41 promotes H2A.Z deposition through recognition of the N terminus of histone H3 by the YEATS domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
6D47
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BU of 6d47 by Molmil
Crystal structure of a DNA polymerase III subunit beta DnaN sliding clamp from Mycobacterium marinum
Descriptor: Beta sliding clamp
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-04-17
Release date:2018-05-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of a DNA polymerase III subunit beta DnaN sliding clamp from Mycobacterium marinum
To Be Published
8IN1
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BU of 8in1 by Molmil
beta-glucosidase protein from Aplysia kurodai
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-Glucosidase, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
Deposit date:2023-03-08
Release date:2023-11-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
6CXS
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BU of 6cxs by Molmil
Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
Descriptor: 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine, Beta-glucuronidase, Maltose/maltodextrin-binding periplasmic protein
Authors:Wallace, B.D, Redinbo, M.R.
Deposit date:2018-04-04
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeted inhibition of gut bacterial beta-glucuronidase activity enhances anticancer drug efficacy.
Proc.Natl.Acad.Sci.USA, 2020
6CYO
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BU of 6cyo by Molmil
Crystal structure of human UBE2A (RAD6A)
Descriptor: Ubiquitin-conjugating enzyme E2 A
Authors:Ranzani, A.T, de Oliveira, J.F.
Deposit date:2018-04-06
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanistic insights revealed by a UBE2A mutation linked to intellectual disability.
Nat. Chem. Biol., 15, 2019
6CYS
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BU of 6cys by Molmil
Crystal structure analysis of the D150G mutant of Superoxide Dismutase from Trichoderma reesei
Descriptor: FE (III) ION, Superoxide dismutase
Authors:Mendoza Rengifo, E, Garratt, R.C, Ferreira Jr, J.R.S.
Deposit date:2018-04-06
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure analysis of the D150G mutant of Superoxide Dismutase from Trichoderma reesei
To Be Published
6D14
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BU of 6d14 by Molmil
Zebrafish TRAP1 bound to AMPPNP and calcium in the asymmetric closed state
Descriptor: CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TNF receptor-associated protein 1
Authors:Elnatan, D, Agard, D.A.
Deposit date:2018-04-11
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Calcium binding to a remote site can replace magnesium as cofactor for mitochondrial Hsp90 (TRAP1) ATPase activity.
J.Biol.Chem., 293, 2018
6D1Z
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BU of 6d1z by Molmil
Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one Inhibitor
Descriptor: 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide, GLYCEROL, ...
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
1M1J
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BU of 1m1j by Molmil
Crystal structure of native chicken fibrinogen with two different bound ligands
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yang, Z, Kollman, J.M, Pandi, L, Doolittle, R.F.
Deposit date:2002-06-19
Release date:2002-06-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Native Chicken Fibrinogen at 2.7 A Resolution
Biochemistry, 40, 2001

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