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7SLT
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Protease inhibitors variant, CTI-homolog pacifastin
Descriptor: GLYCEROL, Protease inhibitor LCMI-II
Authors:Gewe, M.M, Strong, R.K.
Deposit date:2021-10-24
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
8OYT
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BU of 8oyt by Molmil
Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '3 up' RBD conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H6 nanobody, ...
Authors:Weckener, M, Naismith, J.H, Owens, R.J.
Deposit date:2023-05-05
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
7SQ5
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BU of 7sq5 by Molmil
Designed trefoil knot protein, variant 3
Descriptor: Designed trefoil knot protein, variant 3, SODIUM ION
Authors:Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2021-11-04
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
7SQP
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BU of 7sqp by Molmil
Single chain trimer HLA-A*02:01 (Y108C) with HPV.16 E7 peptide YMLDLQPETTDL
Descriptor: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
Authors:Finton, K.A.K, Rupert, P.B.
Deposit date:2021-11-05
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7SRK
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BU of 7srk by Molmil
Single chain trimer HLA-A*24:02 (Y108C, A163C) with 8mer peptide YPPVPETF
Descriptor: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
Authors:Finton, K.A.K, Rupert, P.B.
Deposit date:2021-11-08
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
8PQQ
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Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 E88Q Mutant bound to Clofarabine
Descriptor: 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, MAGNESIUM ION, Nucleoside 2-deoxyribosyltransferase
Authors:Tang, P, Harding, C.J, Czekster, M.C.
Deposit date:2023-07-11
Release date:2024-02-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase.
Acs Catalysis, 14, 2024
7SR4
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BU of 7sr4 by Molmil
Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPETTDLYC
Descriptor: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
Authors:Finton, K.A.K, Rupert, P.B.
Deposit date:2021-11-07
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7SR0
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BU of 7sr0 by Molmil
Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPET
Descriptor: PHOSPHATE ION, Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
Authors:Finton, K.A.K, Rupert, P.B.
Deposit date:2021-11-07
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7SR3
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BU of 7sr3 by Molmil
Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPETTDL
Descriptor: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
Authors:Finton, K.A.K, Rupert, P.B.
Deposit date:2021-11-07
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7T3E
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BU of 7t3e by Molmil
Structure of the sialic acid bound Tripartite ATP-independent Periplasmic (TRAP) periplasmic component SiaP from Photobacterium profundum
Descriptor: N-acetyl-beta-neuraminic acid, SULFATE ION, TRAP-type C4-dicarboxylate transport system, ...
Authors:Davies, J.S, Currie, M.J, North, R.A, Dobson, R.C.J.
Deposit date:2021-12-07
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
6DMC
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BU of 6dmc by Molmil
ppGpp Riboswitch bound to ppGpp, native structure
Descriptor: GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Peselis, A, Serganov, A.
Deposit date:2018-06-04
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands.
Nat. Chem. Biol., 14, 2018
6H64
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BU of 6h64 by Molmil
Crystal structure of the CRD-SAT
Descriptor: Galectin-3, SULFATE ION, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Charron, C, Kriznik, A, Yelehe-Okouma, M, Jouzeau, J.-Y, Reboul, P.
Deposit date:2018-07-26
Release date:2019-08-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CRD SAT Generated by pCARGHO: A New Efficient Lectin-Based Affinity Tag Method for Safe, Simple, and Low-Cost Protein Purification.
Biotechnol J, 14, 2019
7T72
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BU of 7t72 by Molmil
Epitope-based selection of SARS-CoV-2 neutralizing antibodies from convalescent patients
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, Antibody light chain, ...
Authors:Langley, D.B, Christ, D, Rouet, R.
Deposit date:2021-12-14
Release date:2022-12-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.177 Å)
Cite:Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 2023
6DHJ
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BU of 6dhj by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
Descriptor: CITRIC ACID, Cyanuric acid amidohydrolase
Authors:Shi, K, Aihara, H.
Deposit date:2018-05-20
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
8POI
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BU of 8poi by Molmil
Molecular Docking of SPF30 Tudor domain with synthetic inhibitor 4-(pyridin-2-yl)thiazol-2-amine
Descriptor: 4-pyridin-2-yl-1,3-thiazol-2-amine, Survival of motor neuron-related-splicing factor 30
Authors:Borggraefe, J, Gaussmann, S, Sattler, M.
Deposit date:2023-07-04
Release date:2023-08-23
Last modified:2023-08-30
Method:SOLUTION NMR
Cite:Pharmacological perturbation of the phase-separating protein SMNDC1.
Nat Commun, 14, 2023
8PFI
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BU of 8pfi by Molmil
Crystal structure of human TLR8 in complex with compound 34
Descriptor: (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
Authors:Faller, M, Zink, F.
Deposit date:2023-06-16
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.785 Å)
Cite:Discovery of the TLR7/8 Antagonist MHV370 for Treatment of Systemic Autoimmune Diseases.
Acs Med.Chem.Lett., 14, 2023
7T90
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BU of 7t90 by Molmil
Cryo-EM structure of ACh-bound M2R-Go signaling complex in S2 state
Descriptor: ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, J, Wang, Q, Du, Y, Kobilka, B.K.
Deposit date:2021-12-17
Release date:2023-01-25
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
7T9R
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BU of 7t9r by Molmil
Crystal structure of Crocodile defensin CpoBD13:phosphatidic acid complex
Descriptor: (R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE, 1,2-ETHANEDIOL, CpoBD13, ...
Authors:Kvansakul, M, Williams, S, Hulett, M.D.
Deposit date:2021-12-19
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crocodile defensin (CpoBD13) antifungal activity via pH-dependent phospholipid targeting and membrane disruption.
Nat Commun, 14, 2023
7T8X
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BU of 7t8x by Molmil
Cryo-EM structure of ACh-bound M2R-Go signaling complex in S1 state
Descriptor: ACETYLCHOLINE, Antibody fragment, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, J, Wang, Q, Du, Y, Kobilka, B.K.
Deposit date:2021-12-17
Release date:2023-01-25
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
7T5O
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BU of 7t5o by Molmil
VFLIP Spike Trimer with GAR03
Descriptor: GAR03 Fab heavy chain, GAR03 Fab light chain, Spike glycoprotein
Authors:Sobti, M, Stewart, A.G, Rouet, R, Langley, D.B.
Deposit date:2021-12-12
Release date:2023-01-25
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 2023
7T9Q
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BU of 7t9q by Molmil
Crystal structure of Crocodile defensin CpoBD13
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, CpoBD13
Authors:Kvansakul, M, Williams, S, Hulett, M.D.
Deposit date:2021-12-19
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crocodile defensin (CpoBD13) antifungal activity via pH-dependent phospholipid targeting and membrane disruption.
Nat Commun, 14, 2023
8PG0
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BU of 8pg0 by Molmil
Human OATP1B3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHOLESTEROL, ...
Authors:Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P.
Deposit date:2023-06-17
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure of human drug transporters OATP1B1 and OATP1B3.
Nat Commun, 14, 2023
7T8F
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BU of 7t8f by Molmil
G93A mutant of human SOD1 bound with Ebselen in P21 space group
Descriptor: ACETATE ION, N-phenyl-2-selanylbenzamide, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
7T96
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Cryo-EM structure of S2 state ACh-bound M2R-Go signaling complex with a PAM
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, J, Wang, Q, Du, Y, Kobilka, B.K.
Deposit date:2021-12-18
Release date:2023-01-25
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
8PHW
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BU of 8phw by Molmil
Human OATP1B1
Descriptor: CHOLESTEROL HEMISUCCINATE, Fab18 (heavy chain, variable region), ...
Authors:Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P.
Deposit date:2023-06-20
Release date:2023-09-27
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of human drug transporters OATP1B1 and OATP1B3.
Nat Commun, 14, 2023

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PDB entries from 2024-09-11

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