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8GZM
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BU of 8gzm by Molmil
Crystal structure of Cd2+-bound DNA aptamer T22C mutant
Descriptor: 25-mer DNA, BARIUM ION, CADMIUM ION
Authors:Gan, J.H, Liu, H.H, Gao, Y.Q.
Deposit date:2022-09-27
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZK
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BU of 8gzk by Molmil
Crystal structure of Cd2+-bound DNA aptamer T10A mutant
Descriptor: 25-mer DNA, BARIUM ION, CADMIUM ION
Authors:Gan, J.H, Liu, H.H, Gao, Y.Q.
Deposit date:2022-09-27
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
6JBT
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BU of 6jbt by Molmil
Complex structure of toripalimab-Fab and PD-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, ...
Authors:Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J.
Deposit date:2019-01-26
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy.
Mabs, 11, 2019
7D32
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BU of 7d32 by Molmil
The TBA-Pb2+ complex in P41212 space group
Descriptor: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION
Authors:Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H.
Deposit date:2020-09-18
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:Structure-guided development of Pb 2+ -binding DNA aptamers.
Sci Rep, 12, 2022
7D33
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BU of 7d33 by Molmil
The Pb2+ complexed structure of TBA G8C mutant
Descriptor: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*CP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION
Authors:Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H.
Deposit date:2020-09-18
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:Structure-guided development of Pb 2+ -binding DNA aptamers.
Sci Rep, 12, 2022
7D31
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BU of 7d31 by Molmil
The TBA-Pb2+ complex in P41212 space group
Descriptor: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION
Authors:Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H.
Deposit date:2020-09-18
Release date:2021-09-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.396 Å)
Cite:Structure-guided development of Pb 2+ -binding DNA aptamers.
Sci Rep, 12, 2022
7C88
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BU of 7c88 by Molmil
Complex structure of JS003 and PD-L1
Descriptor: JS003 Heavy chain, JS003 Light chain, Programmed cell death 1 ligand 1
Authors:Bi, X, Shi, R, Chai, Y, Qi, J, Yan, J, Tan, S.
Deposit date:2020-05-29
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Identification of a hotspot on PD-L1 for pH-dependent binding by monoclonal antibodies for tumor therapy.
Signal Transduct Target Ther, 5, 2020
7XAB
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BU of 7xab by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 22d
Descriptor: 9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2022-03-17
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.00067449 Å)
Cite:Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases.
Eur.J.Med.Chem., 242, 2022
7XAA
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BU of 7xaa by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 21d
Descriptor: 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2022-03-17
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.100414 Å)
Cite:Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases.
Eur.J.Med.Chem., 242, 2022
7VM8
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BU of 7vm8 by Molmil
Crystal structure of the MtDMI1 gating ring
Descriptor: Ion channel DMI1
Authors:Huang, X, Zhang, P.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.034 Å)
Cite:Constitutive activation of a nuclear-localized calcium channel complex in Medicago truncatula.
Proc.Natl.Acad.Sci.USA, 119, 2022
7CPW
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BU of 7cpw by Molmil
Complex structure of DNA with self-catalyzed depurination activity
Descriptor: DNA (5'-D(*CP*GP*TP*GP*AP*TP*CP*GP*GP*AP*GP*AP*CP*GP*AP*TP*CP*AP*CP*G)-3'), DNA polymerase beta-like protein
Authors:Gan, J.H.
Deposit date:2020-08-08
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.849 Å)
Cite:Crystallization and Structural Determination of 8-17 DNAzyme.
Methods Mol.Biol., 2439, 2022
1CEF
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BU of 1cef by Molmil
CEFOTAXIME COMPLEXED WITH THE STREPTOMYCES R61 DD-PEPTIDASE
Descriptor: CEFOTAXIME, C3' cleaved, open, ...
Authors:Knox, J.R, Kuzin, A.P.
Deposit date:1995-01-12
Release date:1996-10-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases.
Biochemistry, 34, 1995
4USG
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BU of 4usg by Molmil
Crystal structure of PC4 W89Y mutant complex with DNA
Descriptor: 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP *TP*TP*TP*TP*TP*G)-3', ACTIVATED RNA POLYMERASE II TRANSCRIPTIONAL COACTIVATOR P15
Authors:Zhao, Y, Liu, J.
Deposit date:2014-07-08
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4.
Sci.Rep., 5, 2015
5M8H
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BU of 5m8h by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ...
Authors:Alphey, M.S, Ge, Y, Naismith, J.H, da Silva, R.G.
Deposit date:2016-10-28
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Kinetics and Structure of a Cold-Adapted Hetero-Octameric ATP Phosphoribosyltransferase.
Biochemistry, 56, 2017
6SSE
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BU of 6sse by Molmil
Transaminase with PMP bound
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ForI-PMP, SULFATE ION
Authors:Naismith, J.H, Gao, S.
Deposit date:2019-09-06
Release date:2020-01-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis.
Chem.Commun.(Camb.), 55, 2019
6SSF
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BU of 6ssf by Molmil
Transaminase with LCS bound
Descriptor: ForI-LCS, SULFATE ION, [4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Authors:Naismith, J.H, Gao, S.
Deposit date:2019-09-06
Release date:2020-01-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis.
Chem.Commun.(Camb.), 55, 2019
6SSD
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BU of 6ssd by Molmil
Transaminase with PLP bound
Descriptor: ForI-PLP, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Naismith, J.H, Gao, S.
Deposit date:2019-09-06
Release date:2020-01-15
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis.
Chem.Commun.(Camb.), 55, 2019
3ZC4
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BU of 3zc4 by Molmil
The structure of Csa5 from Sulfolobus solfataricus.
Descriptor: DI(HYDROXYETHYL)ETHER, SSO1398
Authors:Reeks, J, Anderson, L, White, M.F, Naismith, J.H.
Deposit date:2012-11-15
Release date:2013-02-20
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structure of the Archaeal Cascade Subunit Csa5: Relating the Small Subunits of Crispr Effector Complexes.
RNA Biol., 10, 2013
2ICZ
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BU of 2icz by Molmil
NMR Structures of the Expanded DNA 10bp xTGxTAxCxGCxAxGT:xACTxGCGxTAxCA
Descriptor: 5'-D(*(XAE)P*CP*TP*(XGA)P*CP*GP*(XTY)P*AP*(XCS)P*A)-3', 5'-D(*(XTY)P*GP*(XTY)P*AP*(XCS)P*(XGA)P*CP*(XAE)P*(XGA)P*T)-3'
Authors:Lynch, S.R.
Deposit date:2006-09-13
Release date:2006-11-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Toward a Designed, Functioning Genetic System with Expanded-Size Base Pairs: Solution Structure of the Eight-Base xDNA Double Helix.
J.Am.Chem.Soc., 128, 2006
7B17
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BU of 7b17 by Molmil
SARS-CoV-spike RBD bound to two neutralising nanobodies.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS-CoV-2 neutralizing biparatopic nanobody VE,nanobody E from Lama glama,SARS-CoV-2 neutralizing biparatopic nanobody VE,nanobody E from Lama glama, Spike protein S1
Authors:Hallberg, B.M, Das, H.
Deposit date:2020-11-23
Release date:2021-02-10
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.01 Å)
Cite:Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape
Science, 371, 2021
7B14
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BU of 7b14 by Molmil
Nanobody E bound to Spike-RBD in a localized reconstruction
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody against SARS-CoV-2, Spike protein S1
Authors:Hallberg, B.M, Das, H.
Deposit date:2020-11-23
Release date:2021-04-28
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape
Science, 371, 2021
7B18
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BU of 7b18 by Molmil
SARS-CoV-spike bound to two neutralising nanobodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody against SARS-CoV-2 VHH E, ...
Authors:Hallberg, B.M, Das, H.
Deposit date:2020-11-24
Release date:2021-04-28
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
7U2E
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BU of 7u2e by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody ADI-55688
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-55688 heavy chain, ADI-55688 light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2022-02-23
Release date:2022-05-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A broad and potent neutralization epitope in SARS-related coronaviruses.
Proc.Natl.Acad.Sci.USA, 119, 2022
7U2D
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BU of 7u2d by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody ADG20
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADG20 heavy chain, ADG20 light chain, ...
Authors:Zhu, X, Yuan, M, Wilson, I.A.
Deposit date:2022-02-23
Release date:2022-05-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:A broad and potent neutralization epitope in SARS-related coronaviruses.
Proc.Natl.Acad.Sci.USA, 119, 2022
8X6B
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BU of 8x6b by Molmil
Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG
Authors:Hu, S.T, Han, P, Wang, H, Qi, J.X.
Deposit date:2023-11-21
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2.
Structure, 2024

221716

數據於2024-06-26公開中

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