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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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative diaminopropionate ammonia-lyase
Authors:Bisht, S, Rajaram, V, Bharath, S.R, Murthy, M.R.N.
Deposit date:2012-01-11
Release date:2012-04-25
Last modified:2017-05-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: 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, ...
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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.
Descriptor: FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
Authors: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.
Deposit date:2015-07-01
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor.
To Be Published
2JF0
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BU of 2jf0 by Molmil
Mus musculus acetylcholinesterase in complex with tabun and Ortho-7
Descriptor: 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
Authors:Ekstrom, F, Astot, C, Pang, Y.P.
Deposit date:2007-01-25
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
Authors:Ekstrom, F, Astot, C, Pang, Y.P.
Deposit date:2007-01-25
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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BU of 2jez by Molmil
Mus musculus acetylcholinesterase in complex with tabun and HLo-7
Descriptor: 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
Authors:Ekstrom, F, Astot, C, Pang, Y.P.
Deposit date:2007-01-25
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 1FD6 16055 V1V2 scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, GN1_PA8 Fab Heavy chain, ...
Authors:Singh, S, Liban, T.J, Pancera, M.
Deposit date:2020-03-26
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.904 Å)
Cite: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
Descriptor: MALONATE ION, Plantacyclin B21AG
Authors:Smith, A.T, Gor, M.C, Vezina, B, McMahon, R, King, G, Panjikar, S, Rehm, B, Martin, J.
Deposit date:2020-04-08
Release date:2021-01-06
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 7qq7 by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG
Descriptor: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
Authors:Snee, M, Levy, C, Kavanagh, M.
Deposit date:2022-01-06
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Purine nucleoside phosphorylase, ...
Authors:Seok, J, Kim, K.-J.
Deposit date:2021-07-10
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
Authors: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.
Deposit date:2015-07-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Nanobody 6, Neurotensin receptor 1, ...
Authors:Robertson, M.J, Skiniotis, G.
Deposit date:2022-04-03
Release date:2022-06-29
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite: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
Descriptor: (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase
Authors:Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A.
Deposit date:2021-11-17
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2020-02-28
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.716 Å)
Cite: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
Descriptor: 3-NITROPROPANOIC ACID, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors: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.
Deposit date:2010-10-07
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: MopR, PHENOL, ZINC ION
Authors:Ray, S, Anand, R, Panjikar, S.
Deposit date:2016-06-03
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 3-CHLOROPHENOL, MopR, ZINC ION
Authors:Ray, S, Anand, R, Panjikar, S.
Deposit date:2016-06-03
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor: Core protein,Matrix protein 2,External core antigen
Authors: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.
Deposit date:2022-10-20
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite: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)
Descriptor: Venom polypeptide
Authors:Agwa, A.J, Schroeder, C.
Deposit date:2019-07-25
Release date:2020-01-22
Last modified:2020-02-05
Method:SOLUTION NMR
Cite: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
Descriptor: Core protein,Matrix protein 2,External core antigen
Authors: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.
Deposit date:2022-10-21
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: 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, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2020-02-28
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 5D2 FAB HEAVY CHAIN, 5D2 FAB LIGHT CHAIN
Authors:Luz, J.G, Birrane, G, Young, S.G, Meiyappan, M, Ploug, M.
Deposit date:2020-05-01
Release date:2020-07-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite: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)
Descriptor: Venom polypeptide
Authors:Agwa, A.J, Schroeder, C.
Deposit date:2019-07-25
Release date:2020-01-22
Last modified:2020-02-05
Method:SOLUTION NMR
Cite: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
Descriptor: COPPER (II) ION, Copper oxidase, GLU-HIS-SER, ...
Authors:Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
Deposit date:2020-05-06
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.684 Å)
Cite: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
Descriptor: COPPER (II) ION, Copper oxidase, SULFATE ION
Authors:Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
Deposit date:2020-05-06
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published

222624

数据于2024-07-17公开中

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