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All PDB entries with NMR restraints data
8VU7
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BU of 8vu7 by Molmil
Wheat Germ Agglutinin (WGA) domain C
Descriptor: Agglutinin isolectin 1
Authors:Melchor-Meneses, C.M, del Rio-Portilla, F, Garcia-Hernandez, E.
Deposit date:2024-01-29
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study.
Protein Sci., 33, 2024
8VU8
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BU of 8vu8 by Molmil
Wheat Germ Agglutinin (WGA) domain D
Descriptor: Agglutinin isolectin 3
Authors:Titaux-Delgado, G.A, del Rio-Portilla, F, Garcia-Hernandez, E.
Deposit date:2024-01-29
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study.
Protein Sci., 33, 2024
8VYC
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BU of 8vyc by Molmil
Graspetide pre-fuscimiditide A1C/T3C variant
Descriptor: ATP-grasp target RiPP
Authors:Link, A.J, Choi, B.
Deposit date:2024-02-08
Release date:2024-05-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Cyclic Peptides from Graspetide Biosynthesis and Native Chemical Ligation.
J.Am.Chem.Soc., 146, 2024
8W0Q
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BU of 8w0q by Molmil
Pembrolizumab CDR-H3 Loop Mimic
Descriptor: Pembrolizumab CDR-H3 Loop Mimic
Authors:Feig, M, Roche, S.P.
Deposit date:2024-02-14
Release date:2024-07-03
Last modified:2024-07-31
Method:SOLUTION NMR
Cite:De Novo Synthesis and Structural Elucidation of CDR-H3 Loop Mimics.
Acs Chem.Biol., 19, 2024
8W2V
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BU of 8w2v by Molmil
Solution Structure of the CD28 hinge used in chimeric antigen receptor (CAR) T-cells
Descriptor: T-cell-specific surface glycoprotein CD28
Authors:Folimonova, V, Chen, X, Walters, K.J.
Deposit date:2024-02-21
Release date:2024-09-11
Method:SOLUTION NMR
Cite:CD28 hinge used in chimeric antigen receptor (CAR) T-cells exhibits local structure and conformational exchange amidst global disorder.
Commun Biol, 7, 2024
8WA4
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BU of 8wa4 by Molmil
Solution structure of free ATF4 promoter G-quadruplex
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, DNA G-quadruplex, THYMIDINE
Authors:Liu, Y.S, Wang, K.B.
Deposit date:2023-09-07
Release date:2024-09-11
Method:SOLUTION NMR
Cite:Stabilizing ATF4 promoter G-quadruplex overcomes the resistance of glutamine-restricted cancer therapy
To Be Published
8WGI
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BU of 8wgi by Molmil
Multicyclic peptide molecules targeting ROR1 with high affinity
Descriptor: R1-2
Authors:Liu, H.T.
Deposit date:2023-09-21
Release date:2024-09-25
Method:SOLUTION NMR
Cite:Multicyclic peptide molecules targeting ROR1 with high affinity
To Be Published
8WGJ
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BU of 8wgj by Molmil
Multicyclic peptide molecules targeting TROP2 with high affinity
Descriptor: T2
Authors:Liu, H.T.
Deposit date:2023-09-21
Release date:2024-09-25
Method:SOLUTION NMR
Cite:Multicyclic peptide molecules targeting ROR1 with high affinity
To Be Published
8WLS
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BU of 8wls by Molmil
Bcl-xL in complex with HBx BH3 delta C peptide
Descriptor: Bcl-2-like protein 1, Protein X
Authors:Kobayashi, N, Nagata, T, Kusunoki, H.
Deposit date:2023-10-01
Release date:2024-03-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Insights into the Interaction between the C-Terminal-Deleted BH3-like Motif Peptide of Hepatitis B Virus X Protein and Bcl-x L.
Biochemistry, 63, 2024
8WT5
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BU of 8wt5 by Molmil
Vaccinia Virus J5 ectodomain
Descriptor: Protein J5
Authors:Carillo, K.J, Tzou, D.L.
Deposit date:2023-10-18
Release date:2023-11-22
Method:SOLUTION NMR
Cite:Solution NMR Structure of Vaccinia Virus Protein J5 (2 - 68 a.a)
To Be Published
8WWX
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BU of 8wwx by Molmil
Ube1L acts akin to a mitt, that mediates UbcH8 binding and orchestrates "E1-E2" interaction
Descriptor: Ubiquitin-like modifier-activating enzyme 7
Authors:Dag, C, Elgin, E.S, Lee, W, Ziarek, J.J.
Deposit date:2023-10-27
Release date:2023-11-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ube1L acts akin to a mitt, that mediates UbcH8 binding and orchestrates "E1-E2" interaction
To Be Published
8X1V
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BU of 8x1v by Molmil
NMR structure of a bimolecular parallel G-quadruplex formed by AAGGG repeats from pathogenic RFC1 gene
Descriptor: DNA (5'-D(*AP*AP*GP*GP*GP*AP*AP*GP*GP*GP*AP*A)-3')
Authors:Wang, Y, Guo, P, Han, D.
Deposit date:2023-11-08
Release date:2024-01-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation of pathogenic RFC1 AAGGG pentanucleotide repeats reveals a role of G-quadruplex in dysregulated gene expression in CANVAS.
Nucleic Acids Res., 52, 2024
8X3A
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BU of 8x3a by Molmil
Solution NMR structure of cellulosomal double-dockerin module of Clo1313_0689 from Clostridium thermocellum
Descriptor: CALCIUM ION, Serine protease
Authors:Chen, C, Feng, Y.
Deposit date:2023-11-12
Release date:2024-04-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A cellulosomal double-dockerin module from Clostridium thermocellum shows distinct structural and cohesin-binding features.
Protein Sci., 33, 2024
8X3N
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BU of 8x3n by Molmil
Thanatin VF16 in complex with LPS
Descriptor: VAL-PRO-ILE-ILE-TYR-CYS-ASN-ARG-ARG-THR-DLY-LYS-CYS-GLN-ARG-PHE
Authors:Swaleeha, J, Bhattacharyya, S.
Deposit date:2023-11-14
Release date:2024-03-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Thanatin VF16 in complex with LPS
To Be Published
8X40
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Free VF16 in aqueous solution
Descriptor: VAL-PRO-ILE-ILE-TYR-CYS-ASN-ARG-ARG-THR-DLY-LYS-CYS-GLN-ARG-PHE
Authors:Swaleeha, J, Bhattacharyya, S.
Deposit date:2023-11-14
Release date:2024-03-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of Free VF16
To Be Published
8X4F
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BU of 8x4f by Molmil
Solution NMR structure of a DNA hairpin formed by pure CTG repeats
Descriptor: DNA (5'-D(*GP*CP*TP*GP*CP*TP*GP*CP*TP*GP*CP*TP*GP*C)-3'), SODIUM ION
Authors:Guo, P, Wan, L, Han, D.
Deposit date:2023-11-15
Release date:2024-02-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:High-Resolution NMR Structures of Intrastrand Hairpins Formed by CTG Trinucleotide Repeats.
Acs Chem Neurosci, 15, 2024
8X8T
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BU of 8x8t by Molmil
NMR structure of p75NTR juxtamembrane domain in complex with RhoGDI N-terminal domain containing a phosphorylation-mimicking S34D mutation
Descriptor: Rho GDP-dissociation inhibitor 1, Tumor necrosis factor receptor superfamily member 16
Authors:Lin, Z, Li, Z.
Deposit date:2023-11-28
Release date:2024-04-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:RhoGDI phosphorylation by PKC promotes its interaction with death receptor p75 NTR to gate axon growth and neuron survival.
Embo Rep., 25, 2024
8XEQ
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BU of 8xeq by Molmil
Solution NMR structure of DNA sequence d(CGATCG)2
Descriptor: DNA (5'-D(*CP*AP*CP*GP*TP*GP*)-3')
Authors:Nair, M.S, Kumar, S.
Deposit date:2023-12-12
Release date:2024-01-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of DNA sequence d(CGATCG)2
To Be Published
8XGW
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BU of 8xgw by Molmil
Solution structure of d(CGATCG)2-Baicalein complex
Descriptor: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, DNA (5'-D(*CP*AP*CP*GP*TP*G)-3')
Authors:Nair, M.S, Kumar, S.
Deposit date:2023-12-15
Release date:2024-02-07
Last modified:2024-06-26
Method:SOLUTION NMR
Cite:Solution structure of d(CACGTG)2-Baicalein complex.
To Be Published
8XTH
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BU of 8xth by Molmil
Thanatin PM15Y in LPS
Descriptor: Thanatin
Authors:Swaleeha, A, Bhattacharrya, S.
Deposit date:2024-01-10
Release date:2024-03-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Thanatin VF16QK in LPS
To Be Published
8XZ2
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BU of 8xz2 by Molmil
The structural model of a homodimeric D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria
Descriptor: D-alanyl-D-alanine dipeptidase
Authors:Konuma, T, Takai, T, Tsuchiya, C, Nishida, M, Hashiba, M, Yamada, Y, Shirai, H, Motoda, Y, Nagadoi, A, Chikaishi, E, Akagi, K, Akashi, S, Yamazaki, T, Akutsu, H, Oe, A, Ikegami, T.
Deposit date:2024-01-20
Release date:2024-05-22
Method:SOLUTION NMR
Cite:Analysis of the homodimeric structure of a D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria.
Protein Sci., 33, 2024
8Y0F
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BU of 8y0f by Molmil
Solution NMR structure of the PTK7-binding DNA aptamer sgc8c
Descriptor: DNA
Authors:He, A, Wan, L, Guo, P, Han, D.
Deposit date:2024-01-22
Release date:2024-06-26
Last modified:2024-07-24
Method:SOLUTION NMR
Cite:Structure-based investigation of a DNA aptamer targeting PTK7 reveals an intricate 3D fold guiding functional optimization.
Proc.Natl.Acad.Sci.USA, 121, 2024
8Y4Z
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BU of 8y4z by Molmil
Monomeric HERC5 HECT c-lobe structure in solution
Descriptor: E3 ISG15--protein ligase HERC5
Authors:Dag, C, Lambert, M, Kahraman, K, Lohn, F, Lee, W, Gocenler, O, Guntert, P, Dotsch, V.
Deposit date:2024-01-31
Release date:2024-02-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Monomeric HERC5 HECT c-lobe structure in solution
To Be Published
8YSY
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BU of 8ysy by Molmil
Ubiquitin(native) from Oryza sativa subsp. japonica (Rice)
Descriptor: Ubiquitin
Authors:Adhada, S.T, Sarma, S.P.
Deposit date:2024-03-24
Release date:2024-10-09
Method:SOLUTION NMR
Cite:Slow Conformational Exchange between Partially Folded and Near-Native States of Ubiquitin: Evidence for a Multistate Folding Model
Biochemistry, 2024
8YUM
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BU of 8yum by Molmil
Ubiquitin(late folding intermediate, F') from Oryza sativa subsp. japonica (Rice)
Descriptor: Ubiquitin
Authors:Adhada, S.T, Sarma, S.P.
Deposit date:2024-03-27
Release date:2024-10-09
Method:SOLUTION NMR
Cite:Slow Conformational Exchange between Partially Folded and Near-Native States of Ubiquitin: Evidence for a Multistate Folding Model
Biochemistry, 2024

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