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6ZPQ
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BU of 6zpq by Molmil
Crystal structure of the open conformation of Angiotensin-1 converting enzyme N-domain.
Descriptor: 1,2-ETHANEDIOL, 2-METHOXYETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2020-07-09
Release date:2020-10-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Angiotensin-converting enzyme open for business: structural insights into the subdomain dynamics.
Febs J., 288, 2021
6ZPT
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BU of 6zpt by Molmil
Crystal structure of the open conformation of S2_S'-mutant human Angiotensin-1 converting enzyme N-domain.
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2020-07-09
Release date:2020-10-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Angiotensin-converting enzyme open for business: structural insights into the subdomain dynamics.
Febs J., 288, 2021
6ZPU
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BU of 6zpu by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain with inserted symmetry molecule C-terminus.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2020-07-09
Release date:2020-10-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Angiotensin-converting enzyme open for business: structural insights into the subdomain dynamics.
Febs J., 288, 2021
8PKC
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BU of 8pkc by Molmil
Structure of Api m1 in complex with the AM1-4 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM1-4 nanobody, Phospholipase A2
Authors:Aagaard, J.B, Gandini, R, Spillner, E, Miehe, M.
Deposit date:2023-06-26
Release date:2024-05-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Nanobody-based IgG formats as blocking antibodies of the major honeybee venom allergen Api m 1
To be published
6HOR
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BU of 6hor by Molmil
Human protein kinase CK2 alpha in complex with feruloylmethane
Descriptor: (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOQ
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BU of 6hoq by Molmil
Human protein kinase CK2 alpha in complex with ferulic acid
Descriptor: 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOV
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BU of 6hov by Molmil
Crystal Structure of BRD4 first bromodomain in complex with ferulic acid
Descriptor: 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Bromodomain-containing protein 4
Authors:Dalle Vedove, A, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOP
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BU of 6hop by Molmil
Human protein kinase CK2 alpha in complex with curcumin degradation products
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOU
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BU of 6hou by Molmil
Human protein kinase CK2 alpha in complex with vanillin
Descriptor: 4-hydroxy-3-methoxybenzaldehyde, Casein kinase II subunit alpha, SULFATE ION
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOT
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BU of 6hot by Molmil
Human protein kinase CK2 alpha in complex with ferulic aldehyde
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
7Z6Z
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BU of 7z6z by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with fosinoprilat
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:Cozier, G.E, Acharya, K.R.
Deposit date:2022-03-14
Release date:2022-06-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibition of human angiotensin-1 converting enzyme by fosinoprilat.
Febs J., 289, 2022
7Z70
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BU of 7z70 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with fosinoprilat
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2022-03-14
Release date:2022-06-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the inhibition of human angiotensin-1 converting enzyme by fosinoprilat.
Febs J., 289, 2022
6KFC
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BU of 6kfc by Molmil
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis, complexed with cyanide ion
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYANIDE ION, Hydroxynitrile lyase, ...
Authors:Motojima, F, Izumi, A, Asano, Y.
Deposit date:2019-07-07
Release date:2020-07-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
5JPM
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BU of 5jpm by Molmil
Structure of the complex of human complement C4 with MASP-2 rebuilt using iMDFF
Descriptor: Complement C4-A, Mannan-binding lectin serine protease 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Croll, T.I, Andersen, G.R.
Deposit date:2016-05-03
Release date:2016-08-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
4OA5
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BU of 4oa5 by Molmil
X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH solved by iodide SAD phasing
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-01-03
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
6XR3
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BU of 6xr3 by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
Descriptor: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
To Be Published
8H3W
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BU of 8h3w by Molmil
Crystal structure of chicken egg lysozyme at ambient temperature
Descriptor: Lysozyme C
Authors:DeMirci, H.
Deposit date:2022-10-09
Release date:2023-03-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Rapid and efficient ambient temperature X-ray crystal structure determination at Turkish Light Source.
Sci Rep, 13, 2023
7Q06
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BU of 7q06 by Molmil
Crystal structure of TPADO in complex with 2-OH-TPA
Descriptor: 2-Hydroxyterephthalic acid, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
Deposit date:2021-10-14
Release date:2022-03-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Q05
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BU of 7q05 by Molmil
Crystal structure of TPADO in complex with TPA
Descriptor: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ...
Authors:Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
Deposit date:2021-10-14
Release date:2022-03-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Q04
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BU of 7q04 by Molmil
Crystal structure of TPADO in a substrate-free state
Descriptor: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ...
Authors:Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
Deposit date:2021-10-14
Release date:2022-04-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
6SUD
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BU of 6sud by Molmil
Structure of L320A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylose.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, ...
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-09-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
6SRD
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BU of 6srd by Molmil
Structure of Rex8A from Paenibacillus barcinonensis complexed with xylose.
Descriptor: GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, beta-D-xylopyranose
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-09-05
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
6KFB
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BU of 6kfb by Molmil
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis bound with thiocyanate
Descriptor: Hydroxynitrile lyase, THIOCYANATE ION, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Motojima, F, Izumi, A, Asano, Y.
Deposit date:2019-07-07
Release date:2020-07-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
3C9M
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BU of 3c9m by Molmil
Structure of a mutant bovine rhodopsin in hexagonal crystal form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL GROUP, RETINAL, ...
Authors:Stenkamp, R.E.
Deposit date:2008-02-16
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Alternative models for two crystal structures of bovine rhodopsin.
Acta Crystallogr.,Sect.D, 64, 2008
6T99
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BU of 6t99 by Molmil
Crystal structrue of RSL W31YW76Y lectin mutant in complex with alpha-methylfucoside
Descriptor: Fucose-binding lectin protein, SODIUM ION, methyl alpha-L-fucopyranoside
Authors:Houser, J, Kozmon, S, Wimmerova, M.
Deposit date:2019-10-26
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
Chemistry, 26, 2020

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數據於2025-07-02公開中

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