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7LMO
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BU of 7lmo by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 34 [3-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione]
Descriptor: (5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7WN2
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BU of 7wn2 by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2022-01-17
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
5ME7
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BU of 5me7 by Molmil
Crystal Structure of eiF4E from C. melo
Descriptor: Eukaryotic transcription initiation factor 4E, GLYCEROL
Authors:Querol-Audi, J, Silva, C, Miras, M, Aranda-Regules, M, Verdaguer, N.
Deposit date:2016-11-14
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of eIF4E in Complex with an eIF4G Peptide Supports a Universal Bipartite Binding Mode for Protein Translation.
Plant Physiol., 174, 2017
6MS3
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BU of 6ms3 by Molmil
Crystal structure of the GH43 protein BlXynB mutant (K247S) from Bacillus licheniformis
Descriptor: CALCIUM ION, GLYCEROL, Glycoside Hydrolase Family 43, ...
Authors:Zanphorlin, L.M, Morais, M.A.B, Diogo, J.A, Murakami, M.T.
Deposit date:2018-10-16
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided design combined with evolutionary diversity led to the discovery of the xylose-releasing exo-xylanase activity in the glycoside hydrolase family 43.
Biotechnol. Bioeng., 116, 2019
7LMN
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BU of 7lmn by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 26 [2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl (3-(1H-imidazol-4-yl)benzyl)carbamate]
Descriptor: 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
4P44
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BU of 4p44 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-81
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Novakova, Z, Barinka, C.
Deposit date:2014-03-11
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
7WNB
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BU of 7wnb by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2022-01-18
Release date:2023-04-19
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
7LMR
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BU of 7lmr by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 63 [4-methyl-3-(morpholinomethyl)-7-(2-phenylpropoxy)-2H-chromen-2-one]
Descriptor: 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
5MCW
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BU of 5mcw by Molmil
New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LWC2)
Descriptor: Cellular tumor antigen p53, DNA, FORMYL GROUP, ...
Authors:Golovenko, D, Rozenberg, H, Shakked, Z.
Deposit date:2016-11-10
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
7LMP
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BU of 7lmp by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 36 [3-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-8-(1H-imidazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione]
Descriptor: 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7LMQ
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BU of 7lmq by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 62 [4-methyl-3-(morpholinomethyl)-7-(1-phenylethoxy)-2H-chromen-2-one]
Descriptor: 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
6N4G
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BU of 6n4g by Molmil
Crystal structure of a tetrameric DNA fold-back quadruplex
Descriptor: BARIUM ION, DNA (5'-D(*CP*GP*TP*TP*AP*GP*GP*CP*G)-3')
Authors:Chu, B, Paukstelis, P.J.
Deposit date:2018-11-19
Release date:2018-12-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of a Tetrameric DNA Fold-Back Quadruplex.
J. Am. Chem. Soc., 140, 2018
7LTO
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BU of 7lto by Molmil
Nse5-6 complex
Descriptor: Non-structural maintenance of chromosome element 5, Ubiquitin-like protein SMT3,DNA repair protein KRE29 chimera
Authors:Yu, Y, Li, S.B, Zheng, S, Tangy, S, Koyi, C, Wan, B.B, Kung, H.H, Andrej, S, Alex, K, Patel, D.J, Zhao, X.L.
Deposit date:2021-02-19
Release date:2021-05-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Integrative analysis reveals unique structural and functional features of the Smc5/6 complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
1TTI
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BU of 1tti by Molmil
THREE NEW CRYSTAL STRUCTURES OF POINT MUTATION VARIANTS OF MONOTIM: CONFORMATIONAL FLEXIBILITY OF LOOP-1,LOOP-4 AND LOOP-8
Descriptor: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Radha Kishan, K.V, Wierenga, R.K.
Deposit date:1995-04-19
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three new crystal structures of point mutation variants of monoTIM: conformational flexibility of loop-1, loop-4 and loop-8.
Structure, 3, 1995
6N4U
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BU of 6n4u by Molmil
MicroED structure of Proteinase K at 2.75A resolution from a single milled crystal.
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T.
Deposit date:2018-11-20
Release date:2019-02-06
Last modified:2023-10-11
Method:ELECTRON CRYSTALLOGRAPHY (2.75 Å)
Cite:Collection of Continuous Rotation MicroED Data from Ion Beam-Milled Crystals of Any Size.
Structure, 27, 2019
6N50
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BU of 6n50 by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.751 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
5MRA
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BU of 5mra by Molmil
human SCBD (sorcin calcium binding domain) in complex with doxorubicin
Descriptor: DIMETHYL SULFOXIDE, DOXORUBICIN, MAGNESIUM ION, ...
Authors:Ilari, A, Fiorillo, A, Colotti, G, Genovese, I.
Deposit date:2016-12-22
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.74 Å)
Cite:Binding of doxorubicin to Sorcin impairs cell death and increases drug resistance in cancer cells.
Cell Death Dis, 8, 2017
1BOQ
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BU of 1boq by Molmil
PRO REGION C-TERMINUS: PROTEASE ACTIVE SITE INTERACTIONS ARE CRITICAL IN CATALYZING THE FOLDING OF ALPHA-LYTIC PROTEASE
Descriptor: PROTEIN (ALPHA-LYTIC PROTEASE), SULFATE ION
Authors:Peters, R.J, Shiau, A.K, Sohl, J.L, Anderson, D.E, Tang, G, Silen, J.L, Agard, D.A.
Deposit date:1998-08-05
Release date:1998-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pro region C-terminus:protease active site interactions are critical in catalyzing the folding of alpha-lytic protease.
Biochemistry, 37, 1998
5J5I
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BU of 5j5i by Molmil
X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol, Acetylcholine-binding protein, ...
Authors:Kaczanowska, K, Harel, M, Camacho Hernandez, G.A, Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.326 Å)
Cite:Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
5D5N
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BU of 5d5n by Molmil
Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Complex
Descriptor: Virion egress protein UL31 homolog, Virion egress protein UL34 homolog, ZINC ION
Authors:Walzer, S.A, Egerer-Sieber, C, Hohl, K, Sevvana, M, Muller, Y.A.
Deposit date:2015-08-11
Release date:2015-10-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Core Nuclear Egress Complex Provides Insight into a Unique Assembly Scaffold for Virus-Host Protein Interactions.
J.Biol.Chem., 290, 2015
6J65
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BU of 6j65 by Molmil
Crystal structure of human HINT1 mutant complexing with AP4A II
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-14
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
1KB4
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BU of 1kb4 by Molmil
Crystal Structure of VDR DNA-binding Domain Bound to a Canonical Direct Repeat with Three Base Pair Spacer (DR3) Response Element
Descriptor: 5'-D(*CP*AP*CP*AP*GP*GP*TP*CP*AP*CP*GP*AP*AP*GP*GP*TP*CP*A)-3', 5'-D(*TP*GP*AP*CP*CP*TP*TP*CP*GP*TP*GP*AP*CP*CP*TP*GP*TP*G)-3', Vitamin D3 Receptor, ...
Authors:Shaffer, P.L, Gewirth, D.T.
Deposit date:2001-11-05
Release date:2002-05-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of VDR-DNA interactions on direct repeat response elements.
EMBO J., 21, 2002
6B3K
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BU of 6b3k by Molmil
Crystal structure of mutant Spinach RNA aptamer in complex with Fab BL3-6
Descriptor: Heavy chain of Fab BL3-6, Light chain of Fab BL3-6, MAGNESIUM ION, ...
Authors:DasGupta, S, Koirala, D, Shelke, S.A, Piccirilli, J.A.
Deposit date:2017-09-22
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Affinity maturation of a portable Fab-RNA module for chaperone-assisted RNA crystallography.
Nucleic Acids Res., 46, 2018
6ZRD
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BU of 6zrd by Molmil
STRUCTURE OF THE HUMAN RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines
Descriptor: 1,3,5-trimethylbenzene, Histone-binding protein RBBP4, macrocyclic peptide based on residues 659-672 of the metastasis-associated protein MTA1
Authors:Vetter, I.R, Porfetye, A.T.
Deposit date:2020-07-13
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure Based Design of Bicyclic Peptide Inhibitors of RbAp48.
Angew.Chem.Int.Ed.Engl., 60, 2021
8AYL
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BU of 8ayl by Molmil
Resting state GluA1/A2 AMPA receptor in complex with TARP gamma 8 and ligand JNJ-61432059
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one, ...
Authors:Zhang, D, Lape, R, Shaikh, S, Kohegyi, B, Watson, J.F, Cais, O, Nakagawa, T, Greger, I.
Deposit date:2022-09-02
Release date:2023-04-19
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Modulatory mechanisms of TARP gamma 8-selective AMPA receptor therapeutics.
Nat Commun, 14, 2023

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