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8TTY
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BU of 8tty by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine, ...
Authors:Critton, D.A.
Deposit date:2023-08-15
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
8TTZ
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BU of 8ttz by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 20
Descriptor: (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Critton, D.A.
Deposit date:2023-08-15
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
6DI4
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BU of 6di4 by Molmil
Rational Modification of Vanillin Derivatives to Stereospecifically Destabilize Sickle Hemoglobin Polymer Formation
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Pagare, P.P, Musayev, F.N.
Deposit date:2018-05-22
Release date:2018-09-05
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational modification of vanillin derivatives to stereospecifically destabilize sickle hemoglobin polymer formation.
Acta Crystallogr D Struct Biol, 74, 2018
6DJ7
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BU of 6dj7 by Molmil
HIV-1 protease with mutation L76V in complex with GRL-5010 (gem-difluoro-bis-tetrahydrofuran as P2 ligand)
Descriptor: (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
Authors:Wong-Sam, A.E, Wang, Y.F, Weber, I.T.
Deposit date:2018-05-24
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
6C6Y
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BU of 6c6y by Molmil
Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain
Descriptor: JC57-14 Heavy chain, JC57-14 Light chain, SULFATE ION, ...
Authors:Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
Deposit date:2018-01-19
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
6DJ5
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BU of 6dj5 by Molmil
HIV-1 protease with mutation L76V in complex with GRL-0519 (tris-tetrahydrofuran as P2 ligand)
Descriptor: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
Authors:Wong-Sam, A.E, Wang, Y.F, Weber, I.T.
Deposit date:2018-05-24
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
6DDF
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BU of 6ddf by Molmil
Mu Opioid Receptor-Gi Protein Complex
Descriptor: DAMGO, 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:Koehl, A, Hu, H, Maeda, S, Manglik, A, Kobilka, B.K, Skiniotis, G, Weis, W.I.
Deposit date:2018-05-10
Release date:2018-06-13
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the mu-opioid receptor-Giprotein complex.
Nature, 558, 2018
5WUU
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BU of 5wuu by Molmil
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
Descriptor: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
Authors:Zhang, H, Sun, Z.Y.
Deposit date:2016-12-21
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017
3JCT
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BU of 3jct by Molmil
Cryo-em structure of eukaryotic pre-60S ribosomal subunits
Descriptor: 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
Authors:Wu, S, Kumcuoglu, B, Yan, K.G, Brown, H, Zhang, Y.X, Tan, D, Gamalinda, M, Yuan, Y, Li, Z.F, Jakovljevic, J, Ma, C.Y, Lei, J.L, Dong, M.Q, Woolford Jr, J.L, Gao, N.
Deposit date:2016-03-09
Release date:2016-06-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Diverse roles of assembly factors revealed by structures of late nuclear pre-60S ribosomes
Nature, 534, 2016
2L5P
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BU of 2l5p by Molmil
Solution NMR structure of protein lipocalin 12 from rat epididymis
Descriptor: Lipocalin 12
Authors:Peng, Y, Lin, D.
Deposit date:2010-11-03
Release date:2011-04-13
Last modified:2011-09-14
Method:SOLUTION NMR
Cite:Solution structure of the protein lipocalin 12 from rat epididymis
Proteins, 79, 2011
4IV6
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BU of 4iv6 by Molmil
X-ray crystal structure of an isovaleryl-CoA dehydrogenase from Mycobacterium smegmatis
Descriptor: Acyl-CoA dehydrogenase FadE3, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-01-22
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
7NBZ
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BU of 7nbz by Molmil
Crystal structure of ligand free open conformation of sulfoquinovosyl binding protein (SQBP) from Agrobacterium tumefaciens
Descriptor: ACETATE ION, Sulfoquinovosyl binding protein
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2021-01-28
Release date:2022-01-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
4J1U
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BU of 4j1u by Molmil
Crystal structure of antibody 93F3 unstable variant
Descriptor: antibody 93F3 Heavy chain, antibody 93F3 Light chain
Authors:Wang, F.
Deposit date:2013-02-02
Release date:2013-03-13
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Somatic hypermutation maintains antibody thermodynamic stability during affinity maturation.
Proc.Natl.Acad.Sci.USA, 110, 2013
7N3R
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BU of 7n3r by Molmil
The ternary complex of human Bisphosphoglycerate mutase with 3-phosphoglycerate and 2-phosphoglycolate
Descriptor: 2-PHOSPHOGLYCOLIC ACID, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase
Authors:Aljahdali, A.S, Musayev, F.N, Safo, M.K.
Deposit date:2021-06-01
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase.
Acta Crystallogr D Struct Biol, 78, 2022
7N3S
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BU of 7n3s by Molmil
Human bisphosphoglycerate mutase complex with 2-phosphoglycolate
Descriptor: 2-PHOSPHOGLYCOLIC ACID, Bisphosphoglycerate mutase
Authors:Aljahdali, A.S, Musayev, F.N, Safo, M.K.
Deposit date:2021-06-01
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase.
Acta Crystallogr D Struct Biol, 78, 2022
6M18
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BU of 6m18 by Molmil
ACE2-B0AT1 complex
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
Deposit date:2020-02-25
Release date:2020-03-11
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
6M1D
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BU of 6m1d by Molmil
ACE2-B0AT1 complex, open conformation
Descriptor: Angiotensin-converting enzyme 2, Sodium-dependent neutral amino acid transporter B(0)AT1
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
Deposit date:2020-02-25
Release date:2020-03-11
Last modified:2020-04-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
4IZ9
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BU of 4iz9 by Molmil
Crystal structure of an acetate kinase from Mycobacterium avium bound to an unknown acid-ApCpp conjugate and manganese
Descriptor: 1,2-ETHANEDIOL, Acetate kinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-01-29
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6MIN
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BU of 6min by Molmil
Crystal structure of Taf14 YEATS domain G82A mutant in complex with histone H3K9cr
Descriptor: Histone H3K9cr, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Andrews, F.H, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
6MIM
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BU of 6mim by Molmil
Crystal structure of AF9 YEATS domain Y78W mutant in complex with histone H3K9cr
Descriptor: Histone H3K9cr, Protein AF-9
Authors:Vann, K.R, Klein, B.J, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
6MIO
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BU of 6mio by Molmil
Crystal structure of Taf14 YEATS domain in complex with histone H3K9pr
Descriptor: Histone H3K9pr, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
6MIQ
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BU of 6miq by Molmil
Crystal structure of Taf14 YEATS domain in complex with histone H3K9bu
Descriptor: Histone H3K9bu, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
4K3D
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BU of 4k3d by Molmil
Crystal structure of bovine antibody BLV1H12 with ultralong CDR H3
Descriptor: BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Ekiert, D.C, Wang, F, Wilson, I.A.
Deposit date:2013-04-10
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Reshaping antibody diversity.
Cell(Cambridge,Mass.), 153, 2013
6MIP
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BU of 6mip by Molmil
Crystal structure of Taf14 YEATS domain G82A mutant
Descriptor: DI(HYDROXYETHYL)ETHER, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Andrews, F.H, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
7OJ6
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BU of 7oj6 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1
Descriptor: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, ACETATE ION, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, ...
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-14
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021

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PDB entries from 2024-08-28

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