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8FDB
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CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM Shewanella denitrificans OS217 IN COMPLEX WITH GLUCITOLAMINE-6-PHOSPHATE AT 3.06 A RESOLUTION.
Descriptor: 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, GLYCEROL, Glutamine-fructose-6-phosphate transaminase (Isomerizing), ...
Authors:Rodriguez-Romero, A, Rodriguez-Hernandez, A, Marcos-Viquez, J, Bustos-Jaimes, I.
Deposit date:2022-12-02
Release date:2023-05-17
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Substrate binding in the allosteric site mimics homotropic cooperativity in the SIS-fold glucosamine-6-phosphate deaminases.
Protein Sci., 32, 2023
8FD9
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Structure of BTK kinase domain with the second-generation inhibitor acalabrutinib
Descriptor: 4-[(4S)-8-amino-3-{(2S)-1-[(2E)-but-2-enoyl]pyrrolidin-2-yl}imidazo[1,5-a]pyrazin-1-yl]-N-(pyridin-2-yl)benzamide, BROMIDE ION, Tyrosine-protein kinase BTK
Authors:Lin, D.Y, Andreotti, A.H.
Deposit date:2022-12-02
Release date:2023-07-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of BTK kinase domain with the second-generation inhibitors acalabrutinib and tirabrutinib.
Plos One, 18, 2023
8FD5
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Nucleocapsid monomer structure from SARS-CoV-2
Descriptor: Nucleoprotein
Authors:Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F.
Deposit date:2022-12-02
Release date:2023-01-11
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (4.57 Å)
Cite:Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests.
Microsc Microanal, 29, 2023
8FCI
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BU of 8fci by Molmil
tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
To Be Published
8FCH
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Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium
Descriptor: tRNA (guanine-N(1)-)-methyltransferase
Authors:Isaacson, B, Brylewski, J, Schlegel, F, Cortes, J, Lavallee, T, Mehta, K, Young, A, Doti, L, Battaile, K.P, Stojanoff, V, Perez, A, Bolen, R.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.956 Å)
Cite:Apo structure of (N1G37) Methyltransferase from Mycobacterium avium.
To Be Published
8FCF
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BU of 8fcf by Molmil
Crystal structure of PLVAP CC1 in I212121 space group
Descriptor: Plasmalemma vesicle-associated protein
Authors:Chang, T.H, Hsieh, F.L, Gu, X, Kavran, J, Gabelli, S.B, Nathans, J.
Deposit date:2022-12-01
Release date:2023-03-22
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into plasmalemma vesicle-associated protein (PLVAP): Implications for vascular endothelial diaphragms and fenestrae.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FCE
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HIV-1 Reverse Transcriptase in complex with 7-membered bicyclic core NNRTI
Descriptor: 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ...
Authors:Lansdon, E.B.
Deposit date:2022-12-01
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
8FCD
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HIV-1 Reverse Transcriptase in complex with 6-membered bicyclic core NNRTI
Descriptor: 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ...
Authors:Lansdon, E.B.
Deposit date:2022-12-01
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
8FCC
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HIV-1 Reverse Transcriptase in complex with 5-membered bicyclic core NNRTI
Descriptor: 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ...
Authors:Lansdon, E.B.
Deposit date:2022-12-01
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
8FC7
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BU of 8fc7 by Molmil
Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK2798745
Descriptor: 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
8FC0
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Crystal structure of a metagenome-derived GH5 endo-beta-1,4-glucanase
Descriptor: BROMIDE ION, CelE2 (Fragment)
Authors:Liberato, M.V, Squina, F.
Deposit date:2022-12-01
Release date:2023-03-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional insights of the catalytic GH5 and Calx-beta domains from the metagenome-derived endoglucanase CelE2.
Enzyme.Microb.Technol., 165, 2023
8FBZ
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BU of 8fbz by Molmil
Crystal Structure of apo human Glutathione Synthetase Y270E
Descriptor: GLYCEROL, Glutathione synthetase, SULFATE ION
Authors:Stanford, S.M, Santelli, E, Sankaran, B, Murali, R, Bottini, N.
Deposit date:2022-11-30
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy.
Sci Adv, 10, 2024
8FBY
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Crystal structure of PLVAP CC1 determined by sulfur SAD
Descriptor: Plasmalemma vesicle-associated protein
Authors:Chang, T.H, Hsieh, F.L, Gabelli, S.B, Nathans, J.
Deposit date:2022-11-30
Release date:2023-03-22
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into plasmalemma vesicle-associated protein (PLVAP): Implications for vascular endothelial diaphragms and fenestrae.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBT
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BU of 8fbt by Molmil
Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Staker, B.L, Fenwick, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-30
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA
To Be Published
8FBQ
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Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 12b
Descriptor: 1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine, ACETATE ION, CHLORIDE ION, ...
Authors:Fenwick, M.K, Staker, B.L, Lovell, S.W, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-29
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of potent and selective N-myristoyltransferase inhibitors of Plasmodium vivax liver stage hypnozoites and schizonts.
Nat Commun, 14, 2023
8FBM
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Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and inhibitor 1
Descriptor: 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Staker, B.L, Fenwick, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-29
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA
To Be Published
8FBG
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BU of 8fbg by Molmil
Crystal structure of NSD1 Mutant-Y1869C
Descriptor: CALCIUM ION, Histone-lysine N-methyltransferase, H3 lysine-36 specific, ...
Authors:Providokhina, K, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2022-11-29
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of NSD1
To Be Published
8FBF
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Crystal structure of OrfX2 from Clostridium botulinum E1
Descriptor: Neurotoxin complex component Orf-X2, SULFATE ION
Authors:Lam, K.H, Gao, L.
Deposit date:2022-11-29
Release date:2022-12-21
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
8FBE
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BU of 8fbe by Molmil
Crystal structure of OrfX1 from Clostridium botulinum E1
Descriptor: Neurotoxin complex component Orf-X1
Authors:Liu, S, Gao, L.
Deposit date:2022-11-29
Release date:2022-12-21
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
8FBD
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BU of 8fbd by Molmil
Crystal structure of OrfX1-OrfX3 complex from Clostridium botulinum E1
Descriptor: ACETATE ION, Neurotoxin complex component Orf-X1, Neurotoxin complex component Orf-X3
Authors:Liu, S, Gao, L.
Deposit date:2022-11-29
Release date:2022-12-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
8FBC
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BU of 8fbc by Molmil
Crystal structure of P450T2
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pereira, J.H, Huang, J, Keasling, J, Adams, P.D.
Deposit date:2022-11-29
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Complete integration of carbene-transfer chemistry into biosynthesis.
Nature, 617, 2023
8FB8
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BU of 8fb8 by Molmil
Crystal structure of Ky15.10-Y100EK Fab in complex with circumsporozoite protein KQPA peptide
Descriptor: Circumsporozoite protein KQPA peptide, GLYCEROL, Ky15.10-YK Antibody, ...
Authors:Kang, R.W, Thai, E, Julien, J.P.
Deposit date:2022-11-29
Release date:2023-11-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
8FB6
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BU of 8fb6 by Molmil
Crystal structure of Ky15.10 Fab in complex with circumsporozoite protein KQPA peptide
Descriptor: 1,2-ETHANEDIOL, Circumsporozoite protein KQPA peptide, Ky15.10 Antibody, ...
Authors:Prieto, K, Thai, E, Julien, J.P.
Deposit date:2022-11-29
Release date:2023-11-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
8FB4
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Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*TP*AP*TP*AP*TP*CP*CP*AP*GP*C)-3')
Authors:Terrell, J.R, Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-29
Release date:2023-02-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8FB3
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PreQ1-1 (type-1) riboswitch with stacked metabolites and a C10-G34 base pair in the expression platform
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, MAGNESIUM ION, RNA (34-MER) Riboswitch
Authors:Wedekind, J.E, Schroeder, G.M, Jenkins, J.L.
Deposit date:2022-11-29
Release date:2023-02-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:A riboswitch separated from its ribosome-binding site still regulates translation.
Nucleic Acids Res., 51, 2023

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PDB entries from 2024-07-10

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