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7U3D
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BU of 7u3d by Molmil
Structure of S. venezuelae GlgX-c-di-GMP-acarbose complex (4.6)
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Glycogen debranching enzyme GlgX
Authors:Schumacher, M.A.
Deposit date:2022-02-27
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric regulation of glycogen breakdown by the second messenger cyclic di-GMP.
Nat Commun, 13, 2022
5HQA
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BU of 5hqa by Molmil
A Glycoside Hydrolase Family 97 enzyme in complex with Acarbose from Pseudoalteromonas sp. strain K8
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, CALCIUM ION, ...
Authors:Li, J, He, C, Xiao, Y.
Deposit date:2016-01-21
Release date:2017-01-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
J. Struct. Biol., 196, 2016
3SY0
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BU of 3sy0 by Molmil
S25-2- A(2-8)-A(2-4)KDO trisaccharide complex
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S25-2 FAB (IGG1K) heavy chain, ...
Authors:Nguyen, H.P, Seto, N.O, Mackenzie, C.R, Brade, L, Kosma, P, Brade, H, Evans, S.V.
Deposit date:2011-07-15
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Germline antibody recognition of distinct carbohydrate epitopes
NAT.STRUCT.BIOL., 10, 2003
1OSE
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BU of 1ose by Molmil
Porcine pancreatic alpha-amylase complexed with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Gilles, C, Payan, F.
Deposit date:1996-03-20
Release date:1997-04-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of pig pancreatic alpha-amylase isoenzyme II, in complex with the carbohydrate inhibitor acarbose.
Eur.J.Biochem., 238, 1996
6ZZY
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BU of 6zzy by Molmil
Structure of high-light grown Chlorella ohadii photosystem I
Descriptor: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ...
Authors:Caspy, I, Nelson, N, Nechushtai, R, Shkolnisky, Y, Neumann, E.
Deposit date:2020-08-05
Release date:2021-07-28
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
6KY6
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BU of 6ky6 by Molmil
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complexs with inhibitor epalrestat in space group P3221cc
Descriptor: 2,5-diketo-D-gluconic acid reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, C.Y, Min, Z.Z, Liu, X.M, Wang, C, Tang, W.R.
Deposit date:2019-09-16
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
2QU9
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BU of 2qu9 by Molmil
Crystal structure of the complex of group II phospholipase A2 with Eugenol
Descriptor: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION
Authors:Kumar, S, Vikram, G, Singh, N, Sinha, M, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P.
Deposit date:2007-08-04
Release date:2007-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of the complex of group II phospholipase A2 with Eugenol
To be Published
2QV4
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BU of 2qv4 by Molmil
Human pancreatic alpha-amylase complexed with nitrite and acarbose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose, CALCIUM ION, ...
Authors:Williams, L.K, Maurus, R, Brayer, G.D.
Deposit date:2007-08-07
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
6L8L
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BU of 6l8l by Molmil
C-Src in complex with ibrutinib
Descriptor: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src
Authors:Guo, M, Dai, S, Chen, L, Chen, Y.
Deposit date:2019-11-06
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.888 Å)
Cite:Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases.
Bioorg.Med.Chem.Lett., 34, 2020
2QIM
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BU of 2qim by Molmil
Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Cytokinin
Descriptor: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, CALCIUM ION, GLYCEROL, ...
Authors:Fernandes, H.C, Pasternak, O, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M.
Deposit date:2007-07-05
Release date:2008-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Lupinus luteus pathogenesis-related protein as a reservoir for cytokinin.
J.Mol.Biol., 378, 2008
8I4C
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BU of 8i4c by Molmil
Cryo-EM structure of U46619-bound ABCC4
Descriptor: (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, ATP-binding cassette sub-family C member 4
Authors:Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q.
Deposit date:2023-01-19
Release date:2023-05-24
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Cryo-EM structure ofABCC4
Nat Cardiovasc Res, 2023
3D7W
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BU of 3d7w by Molmil
Mistletoe Lectin I in Complex with Zeatin
Descriptor: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Meyer, A, Rypniewski, W, Szymanski, M, Voelter, W, Barciszewski, J, Betzel, C.
Deposit date:2008-05-22
Release date:2008-06-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of mistletoe lectin I from Viscum album in complex with the phytohormone zeatin
Biochim.Biophys.Acta, 1784, 2008
6VCU
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BU of 6vcu by Molmil
Homo sapiens FKBP12 protein bound with APX879 in P32 space group
Descriptor: ACETATE ION, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
6VCT
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BU of 6vct by Molmil
Mucor circinelloides FKBP12 protein bound with APX879 in C2221 space group
Descriptor: N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidylprolyl isomerase
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
6VCV
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BU of 6vcv by Molmil
Aspergillus fumigatus FKBP12 protein bound with APX879 in P1 space group
Descriptor: FK506-binding protein 1A, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
5FSC
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BU of 5fsc by Molmil
Structure of tectonin 2 from Laccaria bicolor in complex with allyl- alpha_4-methyl-mannoside
Descriptor: MAGNESIUM ION, TECTONIN 2, prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside
Authors:Sommer, R, Bleuer, S, Titz, A, Kunzler, M, Varrot, A.
Deposit date:2016-01-04
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Fungal Tectonin in Complex with O-Methylated Glycans Suggest Key Role in Innate Immune Defense.
Structure, 26, 2018
7Y7B
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BU of 7y7b by Molmil
Cryo-EM structure of cryptophyte photosystem I
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ...
Authors:Zhao, L.S, Li, K, Zhang, Y.Z, Liu, L.N.
Deposit date:2022-06-22
Release date:2023-04-12
Last modified:2023-07-12
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural basis and evolution of the photosystem I-light-harvesting supercomplex of cryptophyte algae.
Plant Cell, 35, 2023
7Y8A
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BU of 7y8a by Molmil
Cryo-EM structure of cryptophyte photosystem I
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ...
Authors:Zhao, L.S, Zhang, Y.Z, Liu, L.N, Li, K.
Deposit date:2022-06-23
Release date:2023-04-12
Last modified:2023-07-12
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structural basis and evolution of the photosystem I-light-harvesting supercomplex of cryptophyte algae.
Plant Cell, 35, 2023
4M7J
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BU of 4m7j by Molmil
Crystal structure of S25-26 in complex with Kdo(2.8)Kdo(2.4)Kdo trisaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, DI(HYDROXYETHYL)ETHER, ...
Authors:Haji-Ghassemi, O, Evans, S.V, Muller-Loennies, S, Saldova, R, Muniyappa, M, Brade, L, Rudd, P.M, Harvey, D.J, Kosma, P, Brade, H.
Deposit date:2013-08-12
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014
2ZBH
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BU of 2zbh by Molmil
Crystal structure of the complex of phospholipase A2 with Bavachalcone from Aerva lanata at 2.6 A resolution
Descriptor: (2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one, Phospholipase A2 VRV-PL-VIIIa
Authors:Kumar, S, Damodar, N.C, Jain, R, Singh, N, Sharma, S, Kaur, P, Haridas, M, Srinivasan, A, Singh, T.P.
Deposit date:2007-10-20
Release date:2007-11-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the complex of phospholipase A2 with Bavachalcone from Aerva lanata at 2.6 A resolution
To be Published
7DCH
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BU of 7dch by Molmil
Alpha-glucosidase from Weissella cibaria BBK-1 bound with acarbose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glycosidase, ...
Authors:Krusong, K, Wangpaiboon, K, Kim, S, Mori, T, Hakoshima, T.
Deposit date:2020-10-26
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.692 Å)
Cite:A GH13 alpha-glucosidase from Weissella cibaria uncommonly acts on short-chain maltooligosaccharides.
Acta Crystallogr D Struct Biol, 77, 2021
4S23
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BU of 4s23 by Molmil
Structure of the GcpE-HMBPP complex from Thermus thermophilius
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
Authors:Rekittke, I, Warkentin, E, Jomaa, H, Ermler, E.
Deposit date:2015-01-19
Release date:2015-03-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of the GcpE-HMBPP complex from Thermus thermophilius.
Biochem.Biophys.Res.Commun., 458, 2015
4S39
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BU of 4s39 by Molmil
IspG in complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, ...
Authors:Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
5CLT
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BU of 5clt by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
Descriptor: 1,4-alpha-glucan-branching enzyme, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2015-07-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
To be published
4WMY
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BU of 4wmy by Molmil
Structure of Human intelectin-1 in complex with allyl-beta-galactofuranose
Descriptor: CALCIUM ION, Intelectin-1, prop-2-en-1-yl beta-D-galactofuranoside
Authors:Wangkanont, K, Kiessling, L.L, Forest, K.T.
Deposit date:2014-10-09
Release date:2015-07-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Recognition of microbial glycans by human intelectin-1.
Nat.Struct.Mol.Biol., 22, 2015

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