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3WOB
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BU of 3wob by Molmil
Crystal structure of a prostate-specific WGA16 glycoprotein lectin, form I
Descriptor: hypothetical protein
Authors:Garenaux, E, Kanagawa, M, Tsuchiyama, T, Hori, K, Kanazawa, T, Goshima, A, Chiba, M, Yasue, H, Ikeda, A, Yamaguchi, Y, Sato, C, Kitajima, K.
Deposit date:2013-12-26
Release date:2014-12-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery, Primary, and Crystal Structures and Capacitation-related Properties of a Prostate-derived Heparin-binding Protein WGA16 from Boar Sperm
J.Biol.Chem., 290, 2015
3WOC
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BU of 3woc by Molmil
Crystal structure of a prostate-specific WGA16 glycoprotein lectin, form II
Descriptor: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, SULFATE ION, ...
Authors:Garenaux, E, Kanagawa, M, Tsuchiyama, T, Hori, K, Kanazawa, T, Goshima, A, Chiba, M, Yasue, H, Ikeda, A, Yamaguchi, Y, Sato, C, Kitajima, K.
Deposit date:2013-12-26
Release date:2014-12-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery, Primary, and Crystal Structures and Capacitation-related Properties of a Prostate-derived Heparin-binding Protein WGA16 from Boar Sperm
J.Biol.Chem., 290, 2015
3WP8
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BU of 3wp8 by Molmil
Acinetobacter sp. Tol 5 AtaA C-terminal Ylhead fused to GCN4 adaptors (Chead)
Descriptor: Trimeric autotransporter adhesin
Authors:Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
Deposit date:2014-01-10
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
3WPO
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BU of 3wpo by Molmil
Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1i)
Descriptor: CHLORIDE ION, Trimeric autotransporter adhesin
Authors:Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
Deposit date:2014-01-14
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
3WPA
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BU of 3wpa by Molmil
Acinetobacter sp. Tol 5 AtaA C-terminal stalk_FL fused to GCN4 adaptors (CstalkFL)
Descriptor: CHLORIDE ION, Trimeric autotransporter adhesin
Authors:Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
Deposit date:2014-01-10
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
3WPP
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BU of 3wpp by Molmil
Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1iii)
Descriptor: CHLORIDE ION, Trimeric autotransporter adhesin
Authors:Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
Deposit date:2014-01-15
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
3WQA
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BU of 3wqa by Molmil
Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1ii)
Descriptor: CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ...
Authors:Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
Deposit date:2014-01-24
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
3WPR
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BU of 3wpr by Molmil
Acinetobacter sp. Tol 5 AtaA N-terminal half of C-terminal stalk fused to GCN4 adaptors (CstalkN)
Descriptor: Trimeric autotransporter adhesin
Authors:Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
Deposit date:2014-01-15
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
7YK9
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BU of 7yk9 by Molmil
Neutron Structure of PcyA I86D Mutant Complexed with Biliverdin at Room Temperature
Descriptor: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase
Authors:Unno, M, Igarashi, K.
Deposit date:2022-07-22
Release date:2023-01-25
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states.
J.Biol.Chem., 299, 2022
7YKB
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BU of 7ykb by Molmil
Neutron Structure of PcyA D105N Mutant Complexed with Biliverdin at Room Temperature
Descriptor: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION
Authors:Unno, M, Nanasawa, R.
Deposit date:2022-07-22
Release date:2023-01-25
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.38 Å), X-RAY DIFFRACTION
Cite:Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states.
J.Biol.Chem., 299, 2022
4ITE
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BU of 4ite by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(2H-tetrazol-2-yl)ethyl]vitamin D3
Descriptor: (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2013-01-18
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Synthesis of 2 alpha-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo
ACS MED.CHEM.LETT., 4, 2013
4ITF
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BU of 4itf by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(1H-tetrazole-1-yl)ethyl]vitamin D3
Descriptor: (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2013-01-18
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Synthesis of 2 alpha-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo
ACS MED.CHEM.LETT., 4, 2013
6TQD
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BU of 6tqd by Molmil
D00-D0 domain of Intimin
Descriptor: BROMIDE ION, CHLORIDE ION, Intimin, ...
Authors:Weikum, J, Leo, J.C, Morth, J.P.
Deposit date:2019-12-16
Release date:2021-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The extracellular juncture domains in the intimin passenger adopt a constitutively extended conformation inducing restraints to its sphere of action.
Sci Rep, 10, 2020
6TPL
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BU of 6tpl by Molmil
D0-D1 domain of Intimin
Descriptor: CHLORIDE ION, Intimin, MAGNESIUM ION
Authors:Weikum, J, Leo, J.C, Morth, J.P.
Deposit date:2019-12-13
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The extracellular juncture domains in the intimin passenger adopt a constitutively extended conformation inducing restraints to its sphere of action.
Sci Rep, 10, 2020
3OBL
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BU of 3obl by Molmil
Crystal structure of the potent anti-HIV cyanobacterial lectin from Oscillatoria Agardhii
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Lectin
Authors:Koharudin, L.M.I, Furey, W, Gronenborn, A.M.
Deposit date:2010-08-06
Release date:2010-10-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Novel fold and carbohydrate specificity of the potent anti-HIV cyanobacterial lectin from Oscillatoria agardhii.
J.Biol.Chem., 286, 2011
7F9F
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BU of 7f9f by Molmil
Thrombocorticin
Descriptor: MAGNESIUM ION, Thrombocorticin
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y, Freymann, D.M.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.411 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7F9J
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BU of 7f9j by Molmil
Thrombocorticin Q25K in complex with Ca2+
Descriptor: CALCIUM ION, Thrombocorticin Q25K mutant
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7F9G
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BU of 7f9g by Molmil
Thrombocorticin in complex with Ca2+ and fucose
Descriptor: CALCIUM ION, Thrombocorticin, alpha-L-fucopyranose
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.331 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7F91
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BU of 7f91 by Molmil
SeMet derivative of Thrombocorticin
Descriptor: Thrombocorticin
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-03
Release date:2022-07-06
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7FBL
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BU of 7fbl by Molmil
Thrombocorticin in complex with Ca2+ and mannose
Descriptor: CALCIUM ION, Thrombocorticin, alpha-D-mannopyranose
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-11
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7DM9
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BU of 7dm9 by Molmil
Crystal structure of FliM middle domain (51-229) from Vibro alginolyticus
Descriptor: Flagellar motor switch protein FliM
Authors:Takekawa, N, Homma, M, Imada, K.
Deposit date:2020-12-02
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:A slight bending of an alpha-helix in FliM creates a counterclockwise-locked structure of the flagellar motor in Vibrio.
J.Biochem., 170, 2021
7DMA
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BU of 7dma by Molmil
Crystal structure of FliM middle domain (46-231) with R49P substitution from Vibro alginolyticus
Descriptor: Flagellar motor switch protein FliM
Authors:Takekawa, N, Homma, M, Imada, K.
Deposit date:2020-12-03
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:A slight bending of an alpha-helix in FliM creates a counterclockwise-locked structure of the flagellar motor in Vibrio.
J.Biochem., 170, 2021
3AX8
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BU of 3ax8 by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 15alpha-methoxy-1alpha,25-dihydroxyvitamin D3
Descriptor: (1R,3S,5Z)-5-[(2E)-2-[(1R,3S,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-3-methoxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2011-03-30
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:New C15-substituted active vitamin D3
Org.Lett., 13, 2011
3AUN
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BU of 3aun by Molmil
Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR335 and a synthetic peptide containing the NR2 box of DRIP 205
Descriptor: (2R)-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol, DRIP 205 NR2 box peptide, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2011-02-10
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Design, synthesis and X-ray crystallographic study of new nonsecosteroidal vitamin D receptor ligands
Bioorg.Med.Chem.Lett., 21, 2011
3VHW
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BU of 3vhw by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 4-MP
Descriptor: Vitamin D3 receptor, methyl (1S,3E)-3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3R,4S,5R)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name)
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2011-09-08
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Synthesis of novel C-2 substituted vitamin D derivatives having ringed side chains and their biological evaluation on bone
J.Steroid Biochem.Mol.Biol., 136, 2013

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