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8VHC
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BU of 8vhc by Molmil
Crystal Structure of Human IDH1 R132Q in complex with NADPH
Descriptor: GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Mealka, M, Sohl, C.D, Huxford, T.
Deposit date:2023-12-31
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms.
Nat Commun, 15, 2024
8UKX
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BU of 8ukx by Molmil
Crystal structure the extracellular region of the epidermal growth factor receptor variant III (EGFRvIII) at pH 7.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Stayrook, S.E, Ferguson, K.M.
Deposit date:2023-10-15
Release date:2024-06-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:Structural insights into the role and targeting of EGFRvIII.
Structure, 32, 2024
8UKV
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BU of 8ukv by Molmil
Crystal structure of nanobody/VHH domain of 34E5 in complex with the extracellular region of the epidermal growth factor variant III (EGFRvIII)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
Authors:Stayrook, S.E, Ferguson, K.M, Bagchi, A.
Deposit date:2023-10-15
Release date:2024-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structural insights into the role and targeting of EGFRvIII.
Structure, 32, 2024
8UKW
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BU of 8ukw by Molmil
Crystal structure the extracellular region of the epidermal growth factor receptor variant III (EGFRvIII) at pH 5.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
Authors:Stayrook, S.E, Ferguson, K.M.
Deposit date:2023-10-15
Release date:2024-06-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural insights into the role and targeting of EGFRvIII.
Structure, 32, 2024
5YGP
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BU of 5ygp by Molmil
Human TNFRSF25 death domain mutant-D412E
Descriptor: SULFATE ION, TNFRSF25 death domain, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yin, X, Jin, T.C.
Deposit date:2017-09-25
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5YGS
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BU of 5ygs by Molmil
Human TNFRSF25 death domain
Descriptor: Human TNRSF25 death domain, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yin, X, Jin, T.
Deposit date:2017-09-26
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.691 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
8RFB
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BU of 8rfb by Molmil
Cryo-EM structure of the R243C mutant of human Prolyl Endopeptidase-Like (PREPL) protein involved in Congenital myasthenic syndrome-22 (CMS22)
Descriptor: Prolyl endopeptidase-like
Authors:Theodoropoulou, A, Cavani, E, Antanasijevic, A, Marcaida, M.J, Dal Peraro, M.
Deposit date:2023-12-12
Release date:2024-09-04
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.01 Å)
Cite:Missense variants in CMS22 patients reveal that PREPL has both enzymatic and nonenzymatic functions.
JCI Insight, 9, 2024
3PBK
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BU of 3pbk by Molmil
Structural and Functional Studies of Fatty Acyl-Adenylate Ligases from E. coli and L. pneumophila
Descriptor: 5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine, Fatty Acyl-Adenylate Ligase
Authors:Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-10-20
Release date:2010-12-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Studies of Fatty Acyl Adenylate Ligases from E. coli and L. pneumophila.
J.Mol.Biol., 406, 2011
5ZNY
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BU of 5zny by Molmil
Structure of mDR3_DD-C363G with MBP tag
Descriptor: Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION
Authors:Yin, X, Jin, T.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5ZNZ
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BU of 5znz by Molmil
Structure of mDR3 DD with MBP tag mutant-I387V
Descriptor: Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION
Authors:Jin, T, Yin, X.
Deposit date:2018-04-12
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5WXN
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BU of 5wxn by Molmil
Structure of the LKB1 and 14-3-3 complex
Descriptor: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase STK11
Authors:Ding, S, Shi, Z.B.
Deposit date:2017-01-08
Release date:2017-04-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Structure of the complex of phosphorylated liver kinase B1 and 14-3-3 zeta
Acta Crystallogr F Struct Biol Commun, 73, 2017
5YEV
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BU of 5yev by Molmil
Murine DR3 death domain
Descriptor: SULFATE ION, TNFRSF25 death domain
Authors:Yin, X, Jin, T.
Deposit date:2017-09-19
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
7JYD
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BU of 7jyd by Molmil
Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2
Descriptor: 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
7JYE
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BU of 7jye by Molmil
Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2
Descriptor: 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
5VIC
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BU of 5vic by Molmil
Crystal structure of anti-Zika antibody Z004 bound to DENV-1 Envelope protein DIII
Descriptor: Dengue 1 Envelope DIII domain, Fab heavy chain, Fab light chain
Authors:Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J.
Deposit date:2017-04-14
Release date:2017-05-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico.
Cell, 169, 2017
5VIG
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BU of 5vig by Molmil
Crystal structure of anti-Zika antibody Z006 bound to Zika virus envelope protein DIII
Descriptor: CITRATE ANION, Fab heavy chain, Fab light chain, ...
Authors:Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J.
Deposit date:2017-04-16
Release date:2017-05-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico.
Cell, 169, 2017
6KXG
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BU of 6kxg by Molmil
Crystal structure of caspase-11-CARD
Descriptor: caspase-11-CARD
Authors:Liu, M.Z.Y, Jin, T.C.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Crystal structure of caspase-11 CARD provides insights into caspase-11 activation.
Cell Discov, 6, 2020
7L7C
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BU of 7l7c by Molmil
Crystal Structure of EcDsbA in a complex with 2-(6-(3-Methoxyphenyl)benzofuran-3-yl)acetic acid
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2020-12-28
Release date:2021-08-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
7LHP
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BU of 7lhp by Molmil
Crystal Structure of EcDsbA in a complex with methyl 2-(6-bromo-2-phenylbenzofuran-3-yl)acetate
Descriptor: (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2021-01-26
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
7L76
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BU of 7l76 by Molmil
Crystal Structure of EcDsbA in a complex with 2-(6-Phenylbenzofuran-3-yl)acetic acid
Descriptor: (6-phenyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2020-12-26
Release date:2021-08-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
7UZN
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BU of 7uzn by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP
Descriptor: 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ...
Authors:Sheriff, S.
Deposit date:2022-05-09
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.685 Å)
Cite:Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.
Acs Med.Chem.Lett., 13, 2022
8IEM
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BU of 8iem by Molmil
Cryo-EM structure of ATP13A2 in the E2P state
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IEN
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BU of 8ien by Molmil
Cryo-EM structure of ATP13A2 in the E2-Pi state
Descriptor: MAGNESIUM ION, Polyamine-transporting ATPase 13A2, SPERMINE, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IES
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BU of 8ies by Molmil
Cryo-EM structure of ATP13A2 in the E1P-ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IER
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BU of 8ier by Molmil
Cryo-EM structure of ATP13A2 in the putative of E2 state
Descriptor: Polyamine-transporting ATPase 13A2, SPERMINE
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (4.87 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023

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PDB entries from 2024-10-30

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