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3U46
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BU of 3u46 by Molmil
CH04H/CH02L P212121
Descriptor: CH02 Light chain Fab, CH04 Heavy chain Fab
Authors:Louder, R, Pancera, M, McLellan, J.S, Kwong, P.D.
Deposit date:2011-10-07
Release date:2011-11-30
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
8HL9
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BU of 8hl9 by Molmil
Crystal structure of Galectin-8 C-CRD with part of linker
Descriptor: Galectin-8
Authors:Si, Y.L.
Deposit date:2022-11-29
Release date:2023-07-05
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Linker remodels human Galectin-8 structure and regulates its hemagglutination and pro-apoptotic activity.
Int.J.Biol.Macromol., 245, 2023
2E0H
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BU of 2e0h by Molmil
Solution Structure of BmKalphaIT01, an alpha-insect toxin from the Venom of the Chinese Scorpion Buthus martensi Karsch
Descriptor: Alpha-neurotoxin TX12
Authors:Tong, X.T, Chen, X, Wu, H.M.
Deposit date:2006-10-08
Release date:2007-10-16
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution Structure of BmKalphaIT01, an alpha-Insect Toxin from the Venom of the Chinese Scorpion Buthus martensii Karsch
Biochemistry, 46, 2007
4QOC
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BU of 4qoc by Molmil
crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014
6W9A
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BU of 6w9a by Molmil
RNF12 RING domain in complex with Ube2e2
Descriptor: E3 ubiquitin-protein ligase RLIM, GLYCEROL, Ubiquitin-conjugating enzyme E2 E2, ...
Authors:Middleton, A.J, Day, C.L.
Deposit date:2020-03-22
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The RING Domain of RING Finger 12 Efficiently Builds Degradative Ubiquitin Chains.
J.Mol.Biol., 432, 2020
7BST
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BU of 7bst by Molmil
EcoR124I-Ocr in the Intermediate State
Descriptor: Overcome classical restriction gp0.3, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
Authors:Gao, Y, Gao, P.
Deposit date:2020-03-31
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.37 Å)
Cite:Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
7BTR
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BU of 7btr by Molmil
EcoR124I-ArdA in the Restriction-Alleviation State
Descriptor: Antirestriction protein ArdA, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
Authors:Gao, Y, Gao, P.
Deposit date:2020-04-02
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.54 Å)
Cite:Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
7BTQ
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BU of 7btq by Molmil
EcoR124I-DNA in the Restriction-Alleviation State
Descriptor: DNA (64-MER), Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
Authors:Gao, Y, Gao, P.
Deposit date:2020-04-02
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.54 Å)
Cite:Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
7BTO
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BU of 7bto by Molmil
EcoR124I-ArdA in the Translocation State
Descriptor: Antirestriction protein ArdA, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
Authors:Gao, Y, Gao, P.
Deposit date:2020-04-02
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
7BTP
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BU of 7btp by Molmil
EcoR124I-Ocr in Restriction-Alleviation State
Descriptor: Overcome classical restriction gp0.3, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
Authors:Gao, Y, Gao, P.
Deposit date:2020-04-02
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.01 Å)
Cite:Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
3TG5
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BU of 3tg5 by Molmil
Structure of SMYD2 in complex with p53 and SAH
Descriptor: Cellular tumor antigen p53, GLYCEROL, N-lysine methyltransferase SMYD2, ...
Authors:Zhao, K, Wang, L.
Deposit date:2011-08-17
Release date:2011-08-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human SMYD2 reveals the basis of p53 tumor suppressor methylation
J.Biol.Chem., 2011
3TG4
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BU of 3tg4 by Molmil
Structure of SMYD2 in complex with SAM
Descriptor: GLYCEROL, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
Authors:Zhao, K, Wang, L.
Deposit date:2011-08-17
Release date:2011-08-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human SMYD2 reveals the basis of p53 tumor suppressor methylation
J.Biol.Chem., 2011
4OM1
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BU of 4om1 by Molmil
Crystal structure of antibody VRC07-I30Q, G54W, S58N in complex with clade A/E 93TH057 HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.131 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OLU
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BU of 4olu by Molmil
Crystal structure of antibody VRC07 in complex with clade A/E 93TH057 HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OLZ
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BU of 4olz by Molmil
Crystal structure of antibody VRC07-G54W in complex with clade A/E 93TH057 HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OLY
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BU of 4oly by Molmil
Crystal structure of antibody VRC07-G54R in complex with clade A/E 93TH057 HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OLV
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BU of 4olv by Molmil
Crystal structure of antibody VRC07-G54F in complex with clade A/E 93TH057 HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OM0
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BU of 4om0 by Molmil
Crystal structure of antibody VRC07-G54Y in complex with clade A/E 93TH057 HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OLW
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BU of 4olw by Molmil
Crystal structure of antibody VRC07-G54H in complex with clade A/E 93TH057 HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.709 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OLX
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BU of 4olx by Molmil
Crystal structure of antibody VRC07-G54L in complex with clade A/E 93TH057 HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
3HIZ
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BU of 3hiz by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
Deposit date:2009-05-20
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HHM
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BU of 3hhm by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin
Descriptor: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
Deposit date:2009-05-15
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
3IEJ
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BU of 3iej by Molmil
Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements
Descriptor: 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol, Cathepsin S
Authors:Bembenek, S.
Deposit date:2009-07-22
Release date:2009-10-06
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements.
Bioorg.Med.Chem.Lett., 19, 2009
4HVB
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BU of 4hvb by Molmil
Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064
Descriptor: 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Cheng, H.
Deposit date:2012-11-05
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
7EMN
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BU of 7emn by Molmil
The atomic structure of SHP2 E76A mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Luo, F, Xie, J.J, Zhu, J.D, Liu, C.
Deposit date:2021-04-14
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021

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