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5CUI
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BU of 5cui by Molmil
Crystal structure of Human Defensin-5 R28A mutant.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
6MU6
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BU of 6mu6 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-814508 in Complex with Human Antibodies 3H109L and 35O22 at 3.2 Angstrom
Descriptor: (2R)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-22
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
5CUM
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BU of 5cum by Molmil
Crystal structure of Human Defensin-5 Y27A mutant crystal form 1.
Descriptor: CALCIUM ION, CHLORIDE ION, Defensin-5, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
6EDD
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BU of 6edd by Molmil
Crystal structure of a GNAT Superfamily PA3944 acetyltransferase in complex with CoA (P1 space group)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetyltransferase PA3944, ...
Authors:Czub, M.P, Porebski, P.J, Majorek, K.A, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-08-09
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Gcn5-Related N-Acetyltransferase (GNAT) Capable of Acetylating Polymyxin B and Colistin Antibiotics in Vitro.
Biochemistry, 57, 2018
6EDV
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BU of 6edv by Molmil
Structure of a GNAT superfamily acetyltransferase PA3944 in complex with CoA
Descriptor: 1,2-ETHANEDIOL, Acetyltransferase PA3944, CALCIUM ION, ...
Authors:Majorek, K.A, Satchell, K.J.F, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-08-12
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Gcn5-Related N-Acetyltransferase (GNAT) Capable of Acetylating Polymyxin B and Colistin Antibiotics in Vitro.
Biochemistry, 57, 2018
7YP8
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BU of 7yp8 by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Leucyl-sulfamoyl 3-deazaadenosine
Descriptor: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
Authors:Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
Deposit date:2022-08-02
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The essential role of a structured water in base recognition of Class II aminoacyl-tRNA synthetases
To be published
4G6F
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BU of 4g6f by Molmil
Crystal Structure of 10E8 Fab in Complex with an HIV-1 gp41 Peptide
Descriptor: 10E8 Heavy Chain, 10E8 Light Chain, gp41 MPER Peptide
Authors:Ofek, G, Huang, J, Connors, M, Kwong, P.D.
Deposit date:2012-07-19
Release date:2012-09-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Broad and potent neutralization of HIV-1 by a gp41-specific human antibody.
Nature, 491, 2012
5Y4O
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BU of 5y4o by Molmil
Cryo-EM structure of MscS channel, YnaI
Descriptor: Low conductance mechanosensitive channel YnaI
Authors:Zhang, Y, Yu, J.
Deposit date:2017-08-04
Release date:2019-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A binding-block ion selective mechanism revealed by a Na/K selective channel.
Protein Cell, 9, 2018
6CDM
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BU of 6cdm by Molmil
Structure of vaccine-elicited HIV-1 neutralizing antibody vFP7.04 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV fusion peptide (512-519), vFP7.04 heavy chain, vFP7.04 light chain
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.408 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDO
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BU of 6cdo by Molmil
Structure of vaccine-elicited HIV-1 neutralizing antibody vFP16.02 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide 512-519, SULFATE ION, vFP16.02 Fab heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDP
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BU of 6cdp by Molmil
Vaccine-elicited HIV-1 neutralizing antibody vFP20.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide 512-519, SULFATE ION, vFP20.01 Fab heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6BR8
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BU of 6br8 by Molmil
Structure of A6 reveals a novel lipid transporter
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Deng, J, Peng, S, Pathak, P.
Deposit date:2017-11-30
Release date:2018-06-20
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BR9
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BU of 6br9 by Molmil
Structure of A6 reveals a novel lipid transporter
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Deng, J, Peng, S, Pathak, P.
Deposit date:2017-11-30
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DAW
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BU of 6daw by Molmil
X-ray crystal structure of NapI L-arginine desaturase bound to Fe(II), L-arginine, and acetate
Descriptor: ACETATE ION, ARGININE, FE (II) ION, ...
Authors:Mitchell, A.J, Dunham, N.P, Boal, A.K.
Deposit date:2018-05-02
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
6DB2
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BU of 6db2 by Molmil
X-ray crystal structure of VioC bound to vanadyl ion, L-homoarginine, and succinate
Descriptor: 1,2-ETHANEDIOL, Alpha-ketoglutarate-dependent L-arginine hydroxylase, L-HOMOARGININE, ...
Authors:Dunham, N.P, Mitchell, A.J, Boal, A.K.
Deposit date:2018-05-02
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
6DAZ
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BU of 6daz by Molmil
X-ray crystal structure of VioC bound to Fe(II), 3S-hydroxy-L-homoarginine, and succinate
Descriptor: (3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ...
Authors:Dunham, N.P, Mitchell, A.J, Boal, A.K.
Deposit date:2018-05-02
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
3H0Z
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BU of 3h0z by Molmil
Aurora A in complex with a bisanilinopyrimidine
Descriptor: 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Ultsch, M.H, Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
3H10
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BU of 3h10 by Molmil
Aurora A inhibitor complex
Descriptor: 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Ultsch, M.H, Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
3H0Y
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BU of 3h0y by Molmil
Aurora A in complex with a bisanilinopyrimidine
Descriptor: 2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide, SULFATE ION, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Ultsch, M.H, Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
6KUR
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BU of 6kur by Molmil
Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B1)
Descriptor: 3'-vRNA, 5'-vRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
6KUK
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BU of 6kuk by Molmil
Structure of influenza D virus polymerase bound to vRNA promoter in mode A conformation (class A1)
Descriptor: 3'-vRNA, 5'-vRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
6KUP
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BU of 6kup by Molmil
Structure of influenza D virus polymerase bound to vRNA promoter in Mode A conformation(Class A2)
Descriptor: 3'-vRNA, 5'-vRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
6KUV
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BU of 6kuv by Molmil
Structure of influenza D virus polymerase bound to cRNA promoter in class 2
Descriptor: 3'-cRNA, 5'-cRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
5JNY
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BU of 5jny by Molmil
Crystal Structure of 10E8 Fab
Descriptor: 10E8 Heavy Chain, 10E8 Light Chain, CHLORIDE ION, ...
Authors:Ofek, G, Kwong, P.
Deposit date:2016-05-01
Release date:2016-07-13
Method:X-RAY DIFFRACTION (3.041 Å)
Cite:Developmental Pathway of the MPER-Directed HIV-1-Neutralizing Antibody 10E8.
Plos One, 11, 2016
5JR1
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BU of 5jr1 by Molmil
Crystal structure of 10E8 gHV-matureL antigen-binding fragment.
Descriptor: 10E8 heavy chain, 10E8 mature light chain, ZINC ION
Authors:Joyce, M.G, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-05
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Developmental Pathway of the MPER-Directed HIV-1-Neutralizing Antibody 10E8.
Plos One, 11, 2016

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数据于2024-06-12公开中

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