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6C98
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BU of 6c98 by Molmil
Crystal structure of FcRn bound to UCB-84
Descriptor: 1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one, Beta-2-microglobulin, CYSTEINE, ...
Authors:Fox III, D, Lukacs, C.M.
Deposit date:2018-01-25
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6C9O
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BU of 6c9o by Molmil
Selenomethionine mutant (V29Sem) of protein GB1 examined by X-ray diffraction
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin G-binding protein G
Authors:Chen, Q.
Deposit date:2018-01-28
Release date:2019-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 2020
6C99
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BU of 6c99 by Molmil
Crystal structure of FcRn bound to UCB-303
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CITRIC ACID, ...
Authors:Fox III, D, Abendroth, J, Porter, J, Deboves, H.
Deposit date:2018-01-25
Release date:2018-05-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6C97
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BU of 6c97 by Molmil
Crystal structure of FcRn at pH3
Descriptor: Beta-2-microglobulin, GLYCEROL, IgG receptor FcRn large subunit p51
Authors:Fox III, D, Fairman, J.W.
Deposit date:2018-01-25
Release date:2018-05-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6CPZ
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BU of 6cpz by Molmil
Selenomethionine mutant (I6Sem) of protein GB1 examined by X-ray diffraction
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin G-binding protein G, ...
Authors:Chen, Q, Rozovsky, S.
Deposit date:2018-03-14
Release date:2019-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
6CHE
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BU of 6che by Molmil
Selenomethionine mutant (A34Sem) of protein GB1 examined by X-ray diffraction
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, IMIDAZOLE, Immunoglobulin G-binding protein G
Authors:Chen, Q.
Deposit date:2018-02-22
Release date:2019-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
6CNE
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BU of 6cne by Molmil
Selenomethionine variant (V29SeM) of protein GB1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin G-binding protein G, PHOSPHATE ION
Authors:Chen, Q.
Deposit date:2018-03-08
Release date:2019-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
7U37
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BU of 7u37 by Molmil
Solution NMR structure of Vibrio cholerae ferrous iron transport protein C (FeoC)
Descriptor: Ferrous iron transport protein C
Authors:Brown, J.B, Lee, M.A, Smith, A.T.
Deposit date:2022-02-25
Release date:2022-07-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The structure of Vibrio cholerae FeoC reveals conservation of the helix-turn-helix motif but not the cluster-binding domain.
J.Biol.Inorg.Chem., 27, 2022
1MA2
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BU of 1ma2 by Molmil
Tachyplesin I Wild type peptide NMR Structure
Descriptor: Tachyplesin I
Authors:Laederach, A, Andreotti, A.H, Fulton, D.B.
Deposit date:2002-07-31
Release date:2002-10-16
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution and micelle-bound structures of tachyplesin I and its active aromatic linear derivatives
Biochemistry, 41, 2002
7K3G
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BU of 7k3g by Molmil
SARS-CoV-2 Envelope Protein Transmembrane Domain: Pentameric Structure Determined by Solid-State NMR
Descriptor: Envelope small membrane protein
Authors:Mandala, V.S, Hong, M, McKay, M.J, Shcherbakov, A.S, Dregni, A.J.
Deposit date:2020-09-11
Release date:2020-09-30
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structure and drug binding of the SARS-CoV-2 envelope protein transmembrane domain in lipid bilayers.
Nat.Struct.Mol.Biol., 27, 2020
8B29
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BU of 8b29 by Molmil
Human carbonic anhydrase II containing 6-fluorotryptophanes.
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
Deposit date:2022-09-13
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Direct Expression of Fluorinated Proteins in Human Cells for 19 F In-Cell NMR Spectroscopy.
J.Am.Chem.Soc., 145, 2023
7M5T
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BU of 7m5t by Molmil
Solution NMR structure of de novo designed protein 0515
Descriptor: De novo designed protein 0515
Authors:Ramelot, T.A, Hao, J, Baker, D, Montelione, G.T.
Deposit date:2021-03-24
Release date:2021-12-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo protein design by deep network hallucination.
Nature, 600, 2021
4AKA
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BU of 4aka by Molmil
IPSE alpha-1, an IgE-binding crystallin
Descriptor: IL-4-INDUCING PROTEIN
Authors:Meyer, N.H, Mayerhofer, H, Tripsianes, K, Barths, D, Blindow, S, Bade, S, Madl, T, Frey, A, Haas, H, Mueller-Dieckmann, J, Sattler, M, Scharmm, G.
Deposit date:2012-02-22
Release date:2013-03-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Crystallin Fold in the Interleukin-4-Inducing Principle of Schistosoma Mansoni Eggs (Ipse/Alpha-1) Mediates Ige Binding for Antigen-Independent Basophil Activation
J.Biol.Chem., 290, 2015
5KK3
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BU of 5kk3 by Molmil
Atomic Resolution Structure of Monomorphic AB42 Amyloid Fibrils
Descriptor: Beta-amyloid protein 42
Authors:Colvin, M.T, Silvers, R, Zhe Ni, Q, Can, T.V, Sergeyev, I, Rosay, M, Donovan, K.J, Michael, B, Wall, J, Linse, S, Griffin, R.G.
Deposit date:2016-06-20
Release date:2016-07-13
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:Atomic Resolution Structure of Monomorphic A beta 42 Amyloid Fibrils.
J.Am.Chem.Soc., 138, 2016
5MPZ
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BU of 5mpz by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP007
Descriptor: CREB-binding protein, methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-19
Release date:2017-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
8PSH
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BU of 8psh by Molmil
HIGH RESOLUTION NMR STRUCTURE OF THE STEREOREGULAR (ALL-RP)-PHOSPHOROTHIOATE-DNA/RNA HYBRID D (G*PS*C*PS*G*PS*T*PS*C*PS*A*PS*G*PS*G)R(CCUGACGC), MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*DGP*(SC)P*(GS)P*(PST)P*(SC)P*(AS)P*(GS)P*(GS))-3'), RNA (5'-R(*CP*CP*UP*GP*AP*CP*GP*C)-3')
Authors:Bachelin, M, Hessler, G, Kurz, G, Hacia, J.G, Dervan, P.B, Kessler, H.
Deposit date:1997-10-13
Release date:1998-05-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of a Stereoregular Phosphorothioate DNA/RNA Duplex
Nat.Struct.Biol., 5, 1998
6FGM
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BU of 6fgm by Molmil
The NMR solution structure of the peptide AC12 from Hypsiboas raniceps
Descriptor: ALA-CYS-PHE-LEU-THR-ARG-LEU-GLY-THR-TYR-VAL-CYS
Authors:Popov, C.S.F.C, Simas, B.S, Goodfellow, B.J, Bocca, A.L, Andrade, P.B, Pereira, D, Valentao, P, Pereira, P.J.B, Rodrigues, J.E, Veloso Jr, P.H.H, Rezende, T.M.B.
Deposit date:2018-01-11
Release date:2019-01-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Host-defense peptides AC12, DK16 and RC11 with immunomodulatory activity isolated from Hypsiboas raniceps skin secretion.
Peptides, 113, 2019
5MQG
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BU of 5mqg by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP015
Descriptor: 1-(4-azanyl-3-methoxy-phenyl)ethanone, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQE
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BU of 5mqe by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP006
Descriptor: 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQK
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BU of 5mqk by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP019
Descriptor: 1-(1-methylindol-3-yl)ethanone, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
7JQ8
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BU of 7jq8 by Molmil
Solution NMR structure of human Brd3 ET domain
Descriptor: Bromodomain-containing protein 3, Integrase peptide
Authors:Aiyer, S, Swapna, G.V.T, Roth, J.M, Montelione, G.T.
Deposit date:2020-08-10
Release date:2021-06-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
5C5A
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BU of 5c5a by Molmil
Crystal Structure of HDM2 in complex with Nutlin-3a
Descriptor: 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Orts, J, Waelti, M.A, Marsh, M, Vera, L, Gossert, A.D, Guentert, P, Riek, R.
Deposit date:2015-06-19
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.146 Å)
Cite:NMR Molecular Replacement, NMR2
To Be Published
6L7Z
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BU of 6l7z by Molmil
Solution NMR structure of the N-terminal immunoglobulin variable domain of BTNL2
Descriptor: Butyrophilin-like protein 2
Authors:Basak, A.J, Lee, W, Samanta, D, De, S.
Deposit date:2019-11-03
Release date:2020-10-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Insights into N-terminal IgV Domain of BTNL2, a T Cell Inhibitory Molecule, Suggests a Non-canonical Binding Interface for Its Putative Receptors.
J.Mol.Biol., 432, 2020
5LWJ
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BU of 5lwj by Molmil
Solution NMR structure of the GTP binding Class II RNA aptamer-ligand-complex containing a protonated adenine nucleotide with a highly shifted pKa.
Descriptor: GTP Class II RNA (34-MER), GUANOSINE-5'-TRIPHOSPHATE
Authors:Wolter, A.C, Weickhmann, A.K, Nasiri, A.H, Hantke, K, Ohlenschlaeger, O, Wunderlich, C.H, Kreutz, C, Duchardt-Ferner, E, Woehnert, J.
Deposit date:2016-09-17
Release date:2016-12-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Stably Protonated Adenine Nucleotide with a Highly Shifted pKa Value Stabilizes the Tertiary Structure of a GTP-Binding RNA Aptamer.
Angew. Chem. Int. Ed. Engl., 56, 2017
3MOM
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BU of 3mom by Molmil
Structure of holo HasAp H32A mutant complexed with imidazole from Pseudomonas aeruginosa to 2.25A Resolution
Descriptor: Heme acquisition protein HasAp, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Battaile, K.P, Jepkorir, G, Rodriguez, J.C, Rui, H, Im, W, Alontaga, A.Y, Yukl, E, Moenne-Loccoz, P, Rivera, M.
Deposit date:2010-04-22
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural, NMR Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore HasAp from Pseudomonas aeruginosa.
J.Am.Chem.Soc., 132, 2010

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