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2Q3L
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BU of 2q3l by Molmil
CRYSTAL STRUCTURE OF AN UNCHARACTERIZED PROTEIN FROM DUF3478 FAMILY WITH A SPOIIAA-LIKE FOLD (SHEW_3102) FROM SHEWANELLA LOIHICA PV-4 AT 2.25 A RESOLUTION
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-05-30
Release date:2007-06-12
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Open and closed conformations of two SpoIIAA-like proteins (YP_749275.1 and YP_001095227.1) provide insights into membrane association and ligand binding.
Acta Crystallogr.,Sect.F, 66, 2010
4V3J
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BU of 4v3j by Molmil
Structural and functional characterization of a novel monotreme- specific protein from the milk of the platypus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MONOTREME LACTATING PROTEIN
Authors:Kumar, A, Newman, J, Polekina, G, Adams, T.E, Sharp, J.A, Peat, T.S, Nicholas, K.R.
Deposit date:2014-10-20
Release date:2016-01-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
8ILU
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BU of 8ilu by Molmil
Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor
Descriptor: (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, SODIUM ION, ...
Authors:Kumar, A, Jinal, S, Raman, S, Ghosh, K.
Deposit date:2023-03-04
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of Benzothiazole Derived Monosaccharides as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3
To Be Published
7O4O
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BU of 7o4o by Molmil
Structure of Staphylococcus aureus m1A22-tRNA methyltransferase in complex with S-adenosylhomocysteine
Descriptor: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Gloster, T.M, Czekster, C.M, da Silva, R.G.
Deposit date:2021-04-06
Release date:2022-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK.
J.Biol.Chem., 298, 2022
7O4N
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BU of 7o4n by Molmil
Structure of Staphylococcus aureus m1A22-tRNA methyltransferase in complex with S-adenosylmethionine
Descriptor: GLYCEROL, S-ADENOSYLMETHIONINE, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Gloster, T.M, Czekster, C.M, da Silva, R.G.
Deposit date:2021-04-06
Release date:2022-04-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK.
J.Biol.Chem., 298, 2022
7O4M
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BU of 7o4m by Molmil
Structure of Staphylococcus aureus m1A22-tRNA methyltransferase
Descriptor: CITRIC ACID, GLYCEROL, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Gloster, T.M, Czekster, C.M, da Silva, R.G.
Deposit date:2021-04-06
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK.
J.Biol.Chem., 298, 2022
7BWE
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BU of 7bwe by Molmil
Consensus Chitin binding domain
Descriptor: Chitin binding beak protein 3
Authors:Mohanram, H, Miserez, A.
Deposit date:2020-04-14
Release date:2021-04-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of a consensus chitin-binding domain revealed by solution NMR.
J.Struct.Biol., 213, 2021
5EVO
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BU of 5evo by Molmil
Structure of Dehydroascrobate Reductase from Pennisetum Americanum in complex with two non-native ligands, Acetate in the G-site and Glycerol in the H-site
Descriptor: ACETATE ION, Dehydroascorbate reductase, GLYCEROL
Authors:Kumar, A.O, Das, B.K, Arockiasamy, A.
Deposit date:2015-11-20
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase.
Biochem.Biophys.Res.Commun., 473, 2016
5MU1
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BU of 5mu1 by Molmil
UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum soaked with K2PtI6
Descriptor: CALCIUM ION, IODIDE ION, PLATINUM (II) ION, ...
Authors:Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N.
Deposit date:2017-01-11
Release date:2017-07-26
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5J5D
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BU of 5j5d by Molmil
Crystal structure of Dihydrodipicolinate Synthase from Mycobacterium tuberculosis in complex with alpha-ketopimelic acid
Descriptor: 2-oxoheptanedioic acid, 4-hydroxy-tetrahydrodipicolinate synthase, SODIUM ION
Authors:Navratna, V, Gopal, B.
Deposit date:2016-04-02
Release date:2016-08-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition of Mycobacterium tuberculosis dihydrodipicolinate synthase by alpha-ketopimelic acid and its other structural analogues
Sci Rep, 6, 2016
5MZO
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BU of 5mzo by Molmil
UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (open conformation)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N.
Deposit date:2017-02-01
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5N2J
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BU of 5n2j by Molmil
UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (closed form)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N.
Deposit date:2017-02-07
Release date:2017-07-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7DK1
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BU of 7dk1 by Molmil
Crystal structure of Zinc bound SARS-CoV-2 main protease
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, CHLORIDE ION, ...
Authors:Sonkar, K.S, Panchariya, L, Kuila, S, Khan, W.A, Arockiasamy, A.
Deposit date:2020-11-22
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Zinc 2+ ion inhibits SARS-CoV-2 main protease and viral replication in vitro.
Chem.Commun.(Camb.), 57, 2021
5NV4
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BU of 5nv4 by Molmil
UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum double mutant D611C:G1050C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, UDP-glucose-glycoprotein glucosyltransferase-like protein, ...
Authors:Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N.
Deposit date:2017-05-03
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2MI1
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BU of 2mi1 by Molmil
Somatostatin-14 solution structure in 5% D-mannitol
Descriptor: Somatostatin-14
Authors:Anoop, A, Ranganathan, S, Pratihar, S.
Deposit date:2013-12-08
Release date:2014-05-07
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Elucidating the role of disulfide bond on amyloid formation and fibril reversibility of somatostatin-14: relevance to its storage and secretion.
J.Biol.Chem., 289, 2014
8IVX
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BU of 8ivx by Molmil
Crystal structure of NRP2 in complex with aNRP2-14 Fab fragment
Descriptor: 1,2-ETHANEDIOL, Heavy chain of antibody 14V4 Fab fragment, Light chain of antibody 14V4 Fab fragment, ...
Authors:Geng, Y, Zhai, L.
Deposit date:2023-03-29
Release date:2023-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of VEGF binding to neuropilin-2 enhances chemosensitivity and inhibits metastasis in triple-negative breast cancer.
Sci Transl Med, 15, 2023
8IVW
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BU of 8ivw by Molmil
Crystal structure of NRP2 in complex with aNRP2-10 Fab fragment
Descriptor: Heavy chian of antibody 10V8 Fab fragment, Light chain of antibody 10V8 Fab fragment, Neuropilin-2
Authors:Geng, Y, Zhai, L.
Deposit date:2023-03-29
Release date:2023-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.205 Å)
Cite:Inhibition of VEGF binding to neuropilin-2 enhances chemosensitivity and inhibits metastasis in triple-negative breast cancer.
Sci Transl Med, 15, 2023
6HTN
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BU of 6htn by Molmil
Structure of a fucose lectin from Kordia zhangzhouensis in complex with methyl-fucoside
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
Authors:Varrot, A.
Deposit date:2018-10-04
Release date:2019-01-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Architecture and Evolution of Blade Assembly in beta-propeller Lectins.
Structure, 27, 2019
9ICM
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BU of 9icm by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DOUBLE STRANDED DNA (NO 5'-PHOSPHATE)
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1995-12-16
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of human DNA polymerase beta complexed with DNA: implications for catalytic mechanism, processivity, and fidelity
Biochemistry, 35, 1996
9ICW
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BU of 9icw by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; NATIVE STRUCTURE
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1995-12-16
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of human DNA polymerase beta complexed with DNA: implications for catalytic mechanism, processivity, and fidelity
Biochemistry, 35, 1996
9ICX
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BU of 9icx by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA (NON GAPPED DNA ONLY)
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-10-24
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of human DNA polymerase beta complexed with DNA: implications for catalytic mechanism, processivity, and fidelity
Biochemistry, 35, 1996
9ICY
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BU of 9icy by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA (NON GAPPED DNA ONLY)
Descriptor: DNA (5'-D(*CP*AP*TP*TP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-10-24
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of human DNA polymerase beta complexed with DNA: implications for catalytic mechanism, processivity, and fidelity
Biochemistry, 35, 1996
6W1M
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BU of 6w1m by Molmil
Cryo-EM structure of 5HT3A receptor in presence of Ondansetron
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Basak, S, Chakrapani, S.
Deposit date:2020-03-04
Release date:2021-01-13
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:High-resolution structures of multiple 5-HT 3A R-setron complexes reveal a novel mechanism of competitive inhibition.
Elife, 9, 2020
6W1Y
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BU of 6w1y by Molmil
Cryo-EM structure of 5HT3A receptor in presence of Palonosetron
Descriptor: (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Basak, S, Chakrapani, S.
Deposit date:2020-03-04
Release date:2021-01-13
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:High-resolution structures of multiple 5-HT 3A R-setron complexes reveal a novel mechanism of competitive inhibition.
Elife, 9, 2020
6W1J
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BU of 6w1j by Molmil
Cryo-EM structure of 5HT3A receptor in presence of Alosetron
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Basak, S, Chakrapani, S.
Deposit date:2020-03-04
Release date:2021-01-13
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:High-resolution structures of multiple 5-HT 3A R-setron complexes reveal a novel mechanism of competitive inhibition.
Elife, 9, 2020

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