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5WJL
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BU of 5wjl by Molmil
Crystal Structure of HLA-A*11:01 with GTS1 peptide
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GTS1 peptide, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-23
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
7DPM
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BU of 7dpm by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW06 Fab
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, Spike protein S1, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-12-20
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.304 Å)
Cite:Characterization of MW06, a human monoclonal antibody with cross-neutralization activity against both SARS-CoV-2 and SARS-CoV.
Mabs, 13, 2021
5WJN
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BU of 5wjn by Molmil
Crystal Structure of HLA-A*11:01-GTS3
Descriptor: Beta-2-microglobulin, GTS3 peptide, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-23
Release date:2017-09-20
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
6YIZ
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BU of 6yiz by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with triazolo-pyridine inverse agonist A
Descriptor: 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid, MAGNESIUM ION, Transcriptional regulator MvfR, ...
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.163 Å)
Cite:A New PqsR Inverse Agonist Potentiates Tobramycin Efficacy to Eradicate Pseudomonas aeruginosa Biofilms.
Adv Sci, 8, 2021
4G3K
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BU of 4g3k by Molmil
Crystal structure of a. aeolicus nlh1 gaf domain in an inactive state
Descriptor: Transcriptional regulator nlh1
Authors:Wemmer, D.E, Batchelor, J.D, Wang, A, Lee, P, Doucleff, M.
Deposit date:2012-07-14
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural mechanism of GAF-regulated delta(54) activators from Aquifex aeolicus
J.Mol.Biol., 425, 2013
4G3W
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BU of 4g3w by Molmil
Crystal structure of a. aeolicus nlh1 gaf domain in an inactive state
Descriptor: Transcriptional regulator nlh1
Authors:Batchelor, J.D, Wang, A, Lee, P, Doucleff, M, Wemmer, D.E.
Deposit date:2012-07-15
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural mechanism of GAF-regulated delta(54) activators from Aquifex aeolicus
J.Mol.Biol., 425, 2013
4G3V
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BU of 4g3v by Molmil
Crystal structure of A. Aeolicus nlh2 gaf domain in an inactive state
Descriptor: CHLORIDE ION, Transcriptional regulator nlh2
Authors:Batchelor, J.D, Lee, P, Wang, A, Doucleff, M, Wemmer, D.E.
Deposit date:2012-07-15
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural mechanism of GAF-regulated delta(54) activators from Aquifex aeolicus
J.Mol.Biol., 425, 2013
4RBW
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BU of 4rbw by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Thr7Arg Glu21Arg mutant)
Descriptor: CHLORIDE ION, Defensin-5, SULFATE ION
Authors:Pazgier, M, Gohain, N, Tolbert, W.D.
Deposit date:2014-09-13
Release date:2015-07-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015
6SWA
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BU of 6swa by Molmil
Mus musculus brain neocortex ribosome 60S bound to Ebp1
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Kraushar, M.L, Sprink, T.
Deposit date:2019-09-20
Release date:2020-09-30
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Protein Synthesis in the Developing Neocortex at Near-Atomic Resolution Reveals Ebp1-Mediated Neuronal Proteostasis at the 60S Tunnel Exit.
Mol.Cell, 81, 2021
7X08
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BU of 7x08 by Molmil
S protein of SARS-CoV-2 in complex with 2G1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-21
Release date:2022-03-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
5W4R
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BU of 5w4r by Molmil
Structure of RORgt bound to a tertiary alcohol
Descriptor: 1-{4-[(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one, Nuclear receptor ROR-gamma
Authors:Spurlino, J.
Deposit date:2017-06-12
Release date:2017-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:6-Substituted quinolines as ROR gamma t inverse agonists.
Bioorg. Med. Chem. Lett., 27, 2017
7C6P
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BU of 7c6p by Molmil
Bromodomain-containing 4 BD2 in complex with 3',4',7,8- Tetrahydroxyflavonoid
Descriptor: 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one, Bromodomain-containing protein 4
Authors:Li, J, Yu, K, Luo, Y, Zheng, W, Liang, W, Zhu, J.
Deposit date:2020-05-22
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of the natural product 3',4',7,8-tetrahydroxyflavone as a novel and potent selective BRD4 bromodomain 2 inhibitor.
J Enzyme Inhib Med Chem, 36, 2021
7C2Z
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BU of 7c2z by Molmil
Bromodomain-containing 4 BD1 in complex with 3',4',7,8-Tetrahydroxyflavone
Descriptor: 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Li, J, Zhu, J.
Deposit date:2020-05-10
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of the natural product 3',4',7,8-tetrahydroxyflavone as a novel and potent selective BRD4 bromodomain 2 inhibitor.
J Enzyme Inhib Med Chem, 36, 2021
5W4V
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BU of 5w4v by Molmil
Structure of RORgt bound to a tertiary alcohol
Descriptor: (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Hars, U.
Deposit date:2017-06-13
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:6-Substituted quinolines as ROR gamma t inverse agonists.
Bioorg. Med. Chem. Lett., 27, 2017
8FE6
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BU of 8fe6 by Molmil
Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide and UDP-GlcNAc
Descriptor: A motif peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Xie, J, Jiang, J.
Deposit date:2022-12-05
Release date:2023-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Motif-dependent binding on the intervening domain regulates O-GlcNAc transferase.
Nat.Chem.Biol., 19, 2023
8FE7
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BU of 8fe7 by Molmil
Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide (SMG9) and UDP-GlcNAc
Descriptor: Nonsense-mediated mRNA decay factor SMG9, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Xie, J, Jiang, J.
Deposit date:2022-12-05
Release date:2023-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Motif-dependent binding on the intervening domain regulates O-GlcNAc transferase.
Nat.Chem.Biol., 19, 2023
8FUF
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BU of 8fuf by Molmil
Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide (ZNF831) and UDP-GlcNAc
Descriptor: UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, Zinc finger protein 831
Authors:Xie, J, Jiang, J.
Deposit date:2023-01-17
Release date:2023-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.69 Å)
Cite:Motif-dependent binding on the intervening domain regulates O-GlcNAc transferase.
Nat.Chem.Biol., 19, 2023
6UF2
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BU of 6uf2 by Molmil
NMR structure of biofilm-related Se0862 from Synechococcus elongatus
Descriptor: Biofilm-related protein
Authors:Zhang, N, LiWang, A.L.
Deposit date:2019-09-23
Release date:2020-09-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of Se0862, a highly conserved cyanobacterial protein involved in biofilm formation.
Protein Sci., 29, 2020
4Z58
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BU of 4z58 by Molmil
HipB-O3 20mer complex
Descriptor: Antitoxin HipB, DNA (5'-D(*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*TP*AP*CP*GP*GP*GP*AP*TP*AP*A)-3')
Authors:Min, J, Brennan, R.G, Schumacher, M.A.
Deposit date:2015-04-02
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism on hipBA gene regulation.
To be published
7LT3
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BU of 7lt3 by Molmil
NHEJ Long-range synaptic complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (30-MER), DNA (31-MER), ...
Authors:He, Y, Chen, S.
Deposit date:2021-02-18
Release date:2021-04-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural basis of long-range to short-range synaptic transition in NHEJ.
Nature, 593, 2021
7OU1
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BU of 7ou1 by Molmil
Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (monoclinic form MP2)
Descriptor: 1,2-ETHANEDIOL, L-asparaginase, ZINC ION
Authors:Imiolczyk, B, Loch, J.I, Gilski, M, Jaskolski, M.
Deposit date:2021-06-10
Release date:2021-11-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
7OZ6
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BU of 7oz6 by Molmil
Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (monoclinic form MC)
Descriptor: DI(HYDROXYETHYL)ETHER, L-asparaginase, ZINC ION
Authors:Gilski, M, Loch, J.I, Imiolczyk, B, Jaskolski, M.
Deposit date:2021-06-25
Release date:2021-11-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.757 Å)
Cite:Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
7OS6
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BU of 7os6 by Molmil
Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (monoclinic form MP1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, ETHANOL, ...
Authors:Loch, J.I, Imiolczyk, B, Gilski, M, Jaskolski, M.
Deposit date:2021-06-07
Release date:2021-11-24
Last modified:2023-04-26
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
7OS3
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BU of 7os3 by Molmil
Crystal structure of Rhizobium etli inducible L-asparaginase ReAV solved by S-SAD (orthorhombic form START)
Descriptor: CHLORIDE ION, L-asparaginase II protein, ZINC ION
Authors:Gilski, M, Loch, J.I, Imiolczyk, B, Jaskolski, M.
Deposit date:2021-06-07
Release date:2021-11-24
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
7OS5
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BU of 7os5 by Molmil
Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (orthorhombic form OP)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, L-asparaginase, ...
Authors:Loch, J.I, Imiolczyk, B, Gilski, M, Jaskolski, M.
Deposit date:2021-06-07
Release date:2021-11-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.293 Å)
Cite:Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021

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