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8F85
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Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM851
Descriptor: 3-{2-[3-({(6M)-2,4-diamino-6-[2-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM851
To be published
8F84
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Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM787
Descriptor: 3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM787
To be published
8F83
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Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM846
Descriptor: 3-{2-[3-({2,4-diamino-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, Dihydrofolate reductase, IMIDAZOLE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM846
To be published
8F82
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Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, BROMIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845
To be published
8F81
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Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM777
Descriptor: 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM777
To be published
8F80
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BU of 8f80 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM738
Descriptor: 1,2-ETHANEDIOL, 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM738
To be published
8F7Z
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VRC34.01_mm28 bound to fusion peptide
Descriptor: HIV-1 Env Fusion Peptide, VRC34_m228 Light Chain, VRC34_mm28 Heavy Chain
Authors:Olia, A.S, Kwong, P.D.
Deposit date:2022-11-21
Release date:2023-11-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site.
Nat Commun, 14, 2023
8F7V
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Macrocyclic plasmin inhibitor
Descriptor: (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(benzenesulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide, GLYCEROL, Plasminogen, ...
Authors:Guojie, W.
Deposit date:2022-11-20
Release date:2023-02-08
Last modified:2023-06-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Synthesis and structural characterization of new macrocyclicplasmin inhibitors
Chemmedchem, 2023
8F7U
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Macrocyclic Plasmin Inhibitor
Descriptor: (5S,8R,18S,21R)-N-{[4-(aminomethyl)phenyl]methyl}-21-[(benzenesulfonyl)amino]-3,11,20-trioxo-2,5,8,12,19-pentaazatetracyclo[21.2.2.2~5,8~.2~13,16~]hentriaconta-1(25),13,15,23,26,28-hexaene-18-carboxamide, Activation peptide, GLYCEROL, ...
Authors:Guojie, W.
Deposit date:2022-11-20
Release date:2023-02-08
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Synthesis and structural characterization of new macrocyclicplasmin inhibitors
Chemmedchem, 2023
8F7P
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BRAF kinase in complex with LXH254 (naporafenib)
Descriptor: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Tkacik, E, Li, K, Gonzalez Del-Pino, G, Eck, M.J.
Deposit date:2022-11-20
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structure and RAF family kinase isoform selectivity of type II RAF inhibitors tovorafenib and naporafenib.
J.Biol.Chem., 299, 2023
8F7O
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BU of 8f7o by Molmil
BRAF kinase in complex with TAK580 (tovorafenib)
Descriptor: 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Tkacik, E, Li, K, Gonzalez Del-Pino, G, Eck, M.J.
Deposit date:2022-11-20
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.54 Å)
Cite:Structure and RAF family kinase isoform selectivity of type II RAF inhibitors tovorafenib and naporafenib.
J.Biol.Chem., 299, 2023
8F7N
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BU of 8f7n by Molmil
Crystal structure of chemoreceptor McpZ ligand sensing domain
Descriptor: Methyl-accepting chemotaxis protein, YTTERBIUM (III) ION
Authors:Salar, S, Schubot, F.D.
Deposit date:2022-11-19
Release date:2023-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structural analysis of the periplasmic domain of Sinorhizobium meliloti chemoreceptor McpZ reveals a novel fold and suggests a complex mechanism of transmembrane signaling.
Proteins, 91, 2023
8F7K
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BU of 8f7k by Molmil
Thermoplasma acidophilum 20S proteasome - wild type bound to ZYA
Descriptor: N-[(benzyloxy)carbonyl]-L-tyrosyl-D-alanine, Proteasome subunit alpha, Proteasome subunit beta
Authors:Chuah, J, Smith, D.
Deposit date:2022-11-18
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (1.94 Å)
Cite:High resolution structures define divergent and convergent mechanisms of archaeal proteasome activation.
Commun Biol, 6, 2023
8F7I
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BU of 8f7i by Molmil
The condensation domain of surfactin A synthetase C variant 18b in space group P43212
Descriptor: GLYCEROL, Surfactin synthetase
Authors:Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M.
Deposit date:2022-11-18
Release date:2023-11-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
8F7H
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BU of 8f7h by Molmil
The condensation domain of surfactin A synthetase C variant 18b in space group P212121
Descriptor: GLYCEROL, Surfactin synthetase
Authors:Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M.
Deposit date:2022-11-18
Release date:2023-11-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
8F7G
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BU of 8f7g by Molmil
The condensation domain of surfactin A synthetase C in space group P212121
Descriptor: GLYCEROL, Surfactin synthetase
Authors:Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M.
Deposit date:2022-11-18
Release date:2023-11-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
8F7F
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BU of 8f7f by Molmil
The condensation domain of surfactin A synthetase C in space group P43212
Descriptor: GLYCEROL, Surfactin synthetase
Authors:Frota, N, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M.
Deposit date:2022-11-18
Release date:2023-11-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
8F7C
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BU of 8f7c by Molmil
Cryo-EM structure of human pannexin 2
Descriptor: Pannexin-2, Soluble cytochrome b562 fusion
Authors:He, Z, Yuan, P.
Deposit date:2022-11-18
Release date:2023-04-05
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structural and functional analysis of human pannexin 2 channel.
Nat Commun, 14, 2023
8F76
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BU of 8f76 by Molmil
Human olfactory receptor OR51E2 bound to propionate in complex with miniGs399
Descriptor: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Billesboelle, C.B, Manglik, A.
Deposit date:2022-11-18
Release date:2023-03-22
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of odorant recognition by a human odorant receptor.
Nature, 615, 2023
8F70
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BU of 8f70 by Molmil
Identification of an Immunodominant region on a Group A Streptococcus T-antigen Reveals Temperature-Dependent Motion in Pili
Descriptor: CALCIUM ION, T18.1 Major pilin backbone protein T-antigen,Major pilin backbone protein T-antigen
Authors:Young, P.G, Moreland, N.J.
Deposit date:2022-11-17
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Identification of an immunodominant region on a group A Streptococcus T-antigen reveals temperature-dependent motion in pili.
Virulence, 14, 2023
8F6V
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BU of 8f6v by Molmil
Crystal Structure of Nanobody VHH108 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH108
Authors:Simard, A.R, Madden, D.R.
Deposit date:2022-11-17
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
8F6U
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BU of 8f6u by Molmil
Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH113
Authors:Simard, A.R, Taher, N.M, Mishra, A.K, Madden, D.R.
Deposit date:2022-11-17
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
8F6P
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BU of 8f6p by Molmil
Rat Cardiac Sodium Channel with Ranolazine Bound
Descriptor: (R)-ranolazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lenaeus, M.J, Tonggu, L.
Deposit date:2022-11-16
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural Basis for Inhibition of the Cardiac Sodium Channel by the Atypical Antiarrhythmic Drug Ranolazine
To Be Published
8F6O
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BU of 8f6o by Molmil
anti-BTLA monoclonal antibody h22B3 in complex with BTLA
Descriptor: B- and T-lymphocyte attenuator, h22B3 Fab heavy chain, h22B3 Fab light chain
Authors:Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K.
Deposit date:2022-11-16
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
8F6N
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Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Thymine Quasi-Anaerobically
Descriptor: Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G.
Deposit date:2022-11-16
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023

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PDB entries from 2024-07-10

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