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4D9G
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BU of 4d9g by Molmil
Crystal structure of Selenomethionine incorporated holo Diaminopropionate ammonia lyase from Escherichia coli
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative diaminopropionate ammonia-lyase
著者Bisht, S, Rajaram, V, Bharath, S.R, Murthy, M.R.N.
登録日2012-01-11
公開日2012-04-25
最終更新日2017-05-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Escherichia coli Diaminopropionate Ammonia-lyase Reveals Mechanism of Enzyme Activation and Catalysis
J.Biol.Chem., 287, 2012
3SXF
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BU of 3sxf by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89
分子名称: 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者Larson, E.T, Merritt, E.A.
登録日2011-07-14
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
5CBW
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BU of 5cbw by Molmil
Human Cyclophilin D Complexed with Inhibitor.
分子名称: FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-01
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor.
To Be Published
2JF0
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Mus musculus acetylcholinesterase in complex with tabun and Ortho-7
分子名称: 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
著者Ekstrom, F, Astot, C, Pang, Y.P.
登録日2007-01-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes.
Clin.Pharmacol.Ther., 82, 2007
2JEY
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BU of 2jey by Molmil
Mus musculus acetylcholinesterase in complex with HLo-7
分子名称: 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
著者Ekstrom, F, Astot, C, Pang, Y.P.
登録日2007-01-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes.
Clin.Pharmacol.Ther., 82, 2007
2JEZ
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Mus musculus acetylcholinesterase in complex with tabun and HLo-7
分子名称: 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
著者Ekstrom, F, Astot, C, Pang, Y.P.
登録日2007-01-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes.
Clin.Pharmacol.Ther., 82, 2007
6WAS
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BU of 6was by Molmil
Structure of D19.PA8 Fab in complex with 1FD6 16055 V1V2 scaffold
分子名称: 1FD6 16055 V1V2 scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, GN1_PA8 Fab Heavy chain, ...
著者Singh, S, Liban, T.J, Pancera, M.
登録日2020-03-26
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6WI6
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BU of 6wi6 by Molmil
Crystal structure of plantacyclin B21AG
分子名称: MALONATE ION, Plantacyclin B21AG
著者Smith, A.T, Gor, M.C, Vezina, B, McMahon, R, King, G, Panjikar, S, Rehm, B, Martin, J.
登録日2020-04-08
公開日2021-01-06
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure and site-directed mutagenesis of circular bacteriocin plantacyclin B21AG reveals cationic and aromatic residues important for antimicrobial activity.
Sci Rep, 10, 2020
7QQ7
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Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG
分子名称: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
著者Snee, M, Levy, C, Kavanagh, M.
登録日2022-01-06
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG
To Be Published
7FBG
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BU of 7fbg by Molmil
Kinetic and structural analysis by Peptidoglycan editing factor from Bacillus cereus ATCC 14579
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Purine nucleoside phosphorylase, ...
著者Seok, J, Kim, K.-J.
登録日2021-07-10
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Kinetic and structural analysis by Peptidoglycan editing factor from Bacillus cereus ATCC 14579
to be published
5CCQ
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BU of 5ccq by Molmil
Human Cyclophilin D Complexed with Inhibitor
分子名称: FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-02
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
7UL2
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BU of 7ul2 by Molmil
CryoEM Structure of Inactive NTSR1 Bound to SR48692 and Nb6
分子名称: 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Nanobody 6, Neurotensin receptor 1, ...
著者Robertson, M.J, Skiniotis, G.
登録日2022-04-03
公開日2022-06-29
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
7QAR
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BU of 7qar by Molmil
Serial crystallography structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-methyl uric acid at room temperature
分子名称: (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase
著者Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A.
登録日2021-11-17
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
6VZI
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BU of 6vzi by Molmil
Crystal Structure of HIV-1 CAP256 RnS-3mut-2G-SOSIP.664 Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain, ...
著者Lai, Y.-T, Kwong, P.D.
登録日2020-02-28
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.716 Å)
主引用文献Development of a 3Mut-Apex-Stabilized Envelope Trimer That Expands HIV-1 Neutralization Breadth When Used To Boost Fusion Peptide-Directed Vaccine-Elicited Responses.
J.Virol., 94, 2020
3P4S
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BU of 3p4s by Molmil
Crystal structure of Menaquinol:fumarate oxidoreductase in complex with a 3-nitropropionate adduct
分子名称: 3-NITROPROPANOIC ACID, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Tomasiak, T.M, Archuleta, T.L, Andrell, J, Luna-Chavez, C, Davis, T.A, Sarwar, M, Ham, A.J, McDonald, W.H, Yankowskaya, V, Stern, H.A, Johnston, J.N, Maklashina, E, Cecchini, G, Iverson, T.M.
登録日2010-10-07
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase.
J.Biol.Chem., 286, 2011
5KBE
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BU of 5kbe by Molmil
CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH PHENOL
分子名称: MopR, PHENOL, ZINC ION
著者Ray, S, Anand, R, Panjikar, S.
登録日2016-06-03
公開日2016-07-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
5KBH
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BU of 5kbh by Molmil
CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH 3-CHLORO-PHENOL
分子名称: 3-CHLOROPHENOL, MopR, ZINC ION
著者Ray, S, Anand, R, Panjikar, S.
登録日2016-06-03
公開日2016-07-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
8BDZ
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BU of 8bdz by Molmil
Hepatitis B virus core antigen (HBc) with the insertion of four external domains of the influenza A M2 protein (HBc/4M2e) with T=4 topology
分子名称: Core protein,Matrix protein 2,External core antigen
著者Egorov, V.V, Shvetsov, A.V, Pichkur, E.B, Shaldzhyan, A.A, Zabrodskaya, Y.A, Vinogradova, D.S, Nekrasov, P.A, Gorshkov, A.N, Garmay, Y.P, Kovaleva, A.A, Stepanova, L.A, Tsybalova, L.M, Shtam, T.A, Myasnikov, A.G, Konevega, A.L.
登録日2022-10-20
公開日2022-12-28
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Inside and outside of virus-like particles HBc and HBc/4M2e: A comprehensive study of the structure.
Biophys.Chem., 293, 2022
6PX7
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BU of 6px7 by Molmil
Dg12a in Weaponisation 'on the fly': Convergent recruitment of knottin and defensin scaffolds as neurotoxins in the venom of assassin fly Dolopus genitalis (Diptera: Asilidae)
分子名称: Venom polypeptide
著者Agwa, A.J, Schroeder, C.
登録日2019-07-25
公開日2020-01-22
最終更新日2020-02-05
実験手法SOLUTION NMR
主引用文献Weaponisation 'on the fly': Convergent recruitment of knottin and defensin peptide scaffolds into the venom of predatory assassin flies.
Insect Biochem.Mol.Biol., 118, 2019
8BER
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BU of 8ber by Molmil
Hepatitis B virus core antigen (HBc) with the insertion of four external domains of the influenza A M2 protein (HBc/4M2e) with T=3 topology
分子名称: Core protein,Matrix protein 2,External core antigen
著者Egorov, V.V, Shvetsov, A.V, Pichkur, E.B, Shaldzhyan, A.A, Zabrodskaya, Y.A, Vinogradova, D.S, Nekrasov, P.A, Gorshkov, A.N, Garmay, Y.P, Kovaleva, A.A, Stepanova, L.A, Tsybalova, L.M, Shtam, T.A, Myasnikov, A.G, Konevega, A.L.
登録日2022-10-21
公開日2022-12-28
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Inside and outside of virus-like particles HBc and HBc/4M2e: A comprehensive study of the structure.
Biophys.Chem., 293, 2022
6W03
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BU of 6w03 by Molmil
Crystal Structure of HIV-1 BG505 DS-SOSIP.3mut Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.3 Angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain, ...
著者Lai, Y.-T, Kwong, P.D.
登録日2020-02-28
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development of a 3Mut-Apex-Stabilized Envelope Trimer That Expands HIV-1 Neutralization Breadth When Used To Boost Fusion Peptide-Directed Vaccine-Elicited Responses.
J.Virol., 94, 2020
6WT3
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BU of 6wt3 by Molmil
Structural basis for the binding of monoclonal antibody 5D2 to the tryptophan-rich lipid-binding loop in lipoprotein lipase
分子名称: 5D2 FAB HEAVY CHAIN, 5D2 FAB LIGHT CHAIN
著者Luz, J.G, Birrane, G, Young, S.G, Meiyappan, M, Ploug, M.
登録日2020-05-01
公開日2020-07-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The structural basis for monoclonal antibody 5D2 binding to the tryptophan-rich loop of lipoprotein lipase.
J.Lipid Res., 61, 2020
6PX8
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BU of 6px8 by Molmil
Dg3b in Weaponisation 'on the fly': Convergent recruitment of knottin and defensin scaffolds as neurotoxins in the venom of assassin fly Dolopus genitalis (Diptera: Asilidae)
分子名称: Venom polypeptide
著者Agwa, A.J, Schroeder, C.
登録日2019-07-25
公開日2020-01-22
最終更新日2020-02-05
実験手法SOLUTION NMR
主引用文献Weaponisation 'on the fly': Convergent recruitment of knottin and defensin peptide scaffolds into the venom of predatory assassin flies.
Insect Biochem.Mol.Biol., 118, 2019
6YZF
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BU of 6yzf by Molmil
Crystal structure of the M295Y variant of Ssl1
分子名称: COPPER (II) ION, Copper oxidase, GLU-HIS-SER, ...
著者Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
登録日2020-05-06
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published
6YZD
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BU of 6yzd by Molmil
Crystal structure of the M295A variant of Ssl1
分子名称: COPPER (II) ION, Copper oxidase, SULFATE ION
著者Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
登録日2020-05-06
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published

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