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2QFV
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BU of 2qfv by Molmil
Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with NADP(+)
Descriptor: Isocitrate dehydrogenase [NADP], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Peng, Y.J, Ding, J.P.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural studies of Saccharomyces cerevesiae mitochondrial NADP-dependent isocitrate dehydrogenase in different enzymatic states reveal substantial conformational changes during the catalytic reaction
Protein Sci., 17, 2008
2QFX
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BU of 2qfx by Molmil
Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with NADPH, a-ketoglutarate and Ca(2+)
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
Authors:Peng, Y.J, Ding, J.P.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of Saccharomyces cerevesiae mitochondrial NADP-dependent isocitrate dehydrogenase in different enzymatic states reveal substantial conformational changes during the catalytic reaction
Protein Sci., 17, 2008
6PBC
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BU of 6pbc by Molmil
Structural basis for the activation of PLC-gamma isozymes by phosphorylation and cancer-associated mutations
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma,1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, CALCIUM ION, SODIUM ION
Authors:Hajicek, N, Sondek, J.
Deposit date:2019-06-13
Release date:2020-01-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural basis for the activation of PLC-gamma isozymes by phosphorylation and cancer-associated mutations.
Elife, 8, 2019
2QFW
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BU of 2qfw by Molmil
Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with isocitrate
Descriptor: ISOCITRIC ACID, Isocitrate dehydrogenase [NADP]
Authors:Peng, Y.J, Ding, J.P.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural studies of Saccharomyces cerevesiae mitochondrial NADP-dependent isocitrate dehydrogenase in different enzymatic states reveal substantial conformational changes during the catalytic reaction
Protein Sci., 17, 2008
8KFO
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BU of 8kfo by Molmil
Crystal structure of BSA in complex with B3
Descriptor: 6-[(~{E})-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-naphthalen-2-amine, Albumin
Authors:Chen, X, Ge, Y.H, Yang, H, Fang, B, Li, L.
Deposit date:2023-08-16
Release date:2024-08-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Bioinspired two-stage assembled photosensitive protein engineering for tumor-specific mitochondrial targeted phototherapy
To Be Published
2RKI
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BU of 2rki by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI
Descriptor: 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole, CHLORIDE ION, GLYCEROL, ...
Authors:Lansdon, E.B, Kirschberg, T.A.
Deposit date:2007-10-16
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Triazole derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase-structure-activity relationships and crystallographic analysis.
Bioorg.Med.Chem.Lett., 18, 2008
8SNB
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BU of 8snb by Molmil
atomic model of sea urchin sperm doublet microtubule (48-nm periodicity)
Descriptor: ATP6V1FNB, C20Orf85, C4orf45, ...
Authors:Zeng, J, Zhang, R.
Deposit date:2023-04-26
Release date:2023-06-28
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural specializations of the sperm tail.
Cell, 186, 2023
8T1H
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BU of 8t1h by Molmil
Cryo-EM structure of a full-length, native Drp1 dimer
Descriptor: Dynamin-1-like protein
Authors:Rochon, K, Mears, J.A.
Deposit date:2023-06-02
Release date:2024-02-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (5.97 Å)
Cite:Structural basis for regulated assembly of the mitochondrial fission GTPase Drp1.
Nat Commun, 15, 2024
6OWS
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BU of 6ows by Molmil
Cryo-EM structure of an Acinetobacter baumannii multidrug efflux pump
Descriptor: Efflux pump membrane transporter, PHOSPHATIDYLETHANOLAMINE
Authors:Su, C.-C.
Deposit date:2019-05-10
Release date:2019-06-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Cryo-Electron Microscopy Structure of an Acinetobacter baumannii Multidrug Efflux Pump.
Mbio, 10, 2019
8SP3
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BU of 8sp3 by Molmil
Asymmetric dimer of MapSPARTA bound with gRNA/tDNA hybrid
Descriptor: MAGNESIUM ION, TIR-APAZ, guide RNA, ...
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2023-05-01
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
8SPO
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BU of 8spo by Molmil
Tetramerized activation of MapSPARTA bound with NAD+
Descriptor: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Piwi domain-containing protein, ...
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2023-05-03
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
8SP0
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BU of 8sp0 by Molmil
Symmetric dimer of MapSPARTA bound with gRNA/tDNA hybrid
Descriptor: MAGNESIUM ION, TIR-APAZ, guide RNA, ...
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2023-05-01
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
8SQU
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BU of 8squ by Molmil
Monomeric MapSPARTA bound with guide RNA and target DNA hybrid
Descriptor: MAGNESIUM ION, TIR-APAZ, guide RNA, ...
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2023-05-04
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
6OS9
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BU of 6os9 by Molmil
human Neurotensin Receptor 1 (hNTSR1) - Gi1 Protein Complex in canonical conformation (C state)
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Kato, H.E, Zhang, Y, Kobilka, B.K, Skiniotis, G.
Deposit date:2019-05-01
Release date:2019-07-10
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational transitions of a neurotensin receptor 1-Gi1complex.
Nature, 572, 2019
9CPB
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BU of 9cpb by Molmil
Atomic model of bovine Fallopian tube cilia doublet microtubule (48-nm periodicity)
Descriptor: Armadillo repeat containing 4, CFAP141, CFAP276, ...
Authors:Zeng, J, Sun, C, Zhang, R.
Deposit date:2024-07-18
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural diversity of axonemes across mammalian motile cilia
To Be Published
4R4N
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BU of 4r4n by Molmil
Crystal structure of the anti-hiv-1 antibody 2.2c in complex with hiv-1 93ug037 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2.2c LIGHT CHAIN, Antibody 2.2c heavy CHAIN, ...
Authors:Acharya, P, Louder, R, Kwong, P.D.
Deposit date:2014-08-19
Release date:2014-11-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.56 Å)
Cite:Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
8H6T
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BU of 8h6t by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
Descriptor: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Ren, X.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H6P
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BU of 8h6p by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
Descriptor: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Ren, X.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
4H8W
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BU of 4h8w by Molmil
Crystal structure of non-neutralizing and ADCC-potent antibody N5-i5 in complex with HIV-1 clade A/E gp120 and sCD4.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB HEAVY CHAIN OF ADCC AND NON-NEUTRALIZING ANTI-HIV-1 ANTIBODY N5-I5, ...
Authors:Tolbert, W.D, Acharya, P, Kwong, P.D, Pazgier, M.
Deposit date:2012-09-24
Release date:2014-04-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
1D2B
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BU of 1d2b by Molmil
THE MMP-INHIBITORY, N-TERMINAL DOMAIN OF HUMAN TISSUE INHIBITOR OF METALLOPROTEINASES-1 (N-TIMP-1), SOLUTION NMR, 29 STRUCTURES
Descriptor: Metalloproteinase inhibitor 1
Authors:Wu, B, Arumugam, S, Semenchenko, V, Brew, K, Van Doren, S.R.
Deposit date:1999-09-22
Release date:1999-12-22
Last modified:2022-03-23
Method:SOLUTION NMR
Cite:NMR structure of tissue inhibitor of metalloproteinases-1 implicates localized induced fit in recognition of matrix metalloproteinases.
J.Mol.Biol., 295, 2000
4NOM
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BU of 4nom by Molmil
Crystal structure of asparaginyl endopeptidase (AEP)/Legumain activated at pH 4.5
Descriptor: Legumain
Authors:Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J.
Deposit date:2013-11-19
Release date:2014-02-19
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
4NOK
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BU of 4nok by Molmil
Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain at pH 7.5
Descriptor: Legumain
Authors:Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J.
Deposit date:2013-11-19
Release date:2014-02-19
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
4NOJ
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BU of 4noj by Molmil
Crystal structure of the mature form of asparaginyl endopeptidase (AEP)/Legumain activated at pH 3.5
Descriptor: Legumain
Authors:Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J.
Deposit date:2013-11-19
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
4NOL
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BU of 4nol by Molmil
Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain mutant D233A at pH 7.5
Descriptor: Legumain
Authors:Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J.
Deposit date:2013-11-19
Release date:2014-02-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
5W0Q
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BU of 5w0q by Molmil
CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide)
Descriptor: (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide, CREB-binding protein, SULFATE ION
Authors:Murray, J.M.
Deposit date:2017-05-31
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017

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