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8G8A
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BU of 8g8a by Molmil
Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ...
Authors:Janus, B.M, Astavans, A, Ofek, G.
Deposit date:2023-02-17
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 2024
8G8C
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BU of 8g8c by Molmil
Crystal structure of DH1322.1 Fab in complex with HIV proximal MPER peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1322.1 heavy chain, DH1322.1 light chain, ...
Authors:Niyongabo, A, Janus, B.M, Ofek, G.
Deposit date:2023-02-17
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 2024
8G8D
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BU of 8g8d by Molmil
Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide
Descriptor: DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ...
Authors:Niyongabo, A, Janus, B.M, Ofek, G.
Deposit date:2023-02-17
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 2024
8GUO
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BU of 8guo by Molmil
Crystal structure of the nuclease domain of EsaD in complex with EsaG from Staphylococcus aureus
Descriptor: Type VII secretion system protein EsaG, Type VII secretion system protein EssD
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-09-13
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5939517 Å)
Cite:A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
8GUP
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BU of 8gup by Molmil
Crystal structure of EsaG from Staphylococcus aureus
Descriptor: CITRIC ACID, Type VII secretion system protein EsaG
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-09-13
Release date:2022-11-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.298725 Å)
Cite:A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
8GUN
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BU of 8gun by Molmil
Crystal structure of mutant H528A of EsaD from Staphylococcus aureus
Descriptor: MAGNESIUM ION, Type VII secretion system protein EssD
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-09-13
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.30001378 Å)
Cite:A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
3RL7
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BU of 3rl7 by Molmil
Crystal structure of hDLG1-PDZ1 complexed with APC
Descriptor: 11-mer peptide from Adenomatous polyposis coli protein, Disks large homolog 1
Authors:Zhang, Z, Li, H, Wu, G.
Deposit date:2011-04-19
Release date:2011-12-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the recognition of adenomatous polyposis coli by the Discs Large 1 protein.
Plos One, 6, 2011
3RL8
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BU of 3rl8 by Molmil
Crystal structure of hDLG1-PDZ2 complexed with APC
Descriptor: 11-mer peptide from Adenomatous polyposis coli protein, Disks large homolog 1
Authors:Zhang, Z, Li, H, Wu, G.
Deposit date:2011-04-19
Release date:2011-12-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis for the recognition of adenomatous polyposis coli by the Discs Large 1 protein.
Plos One, 6, 2011
5GMP
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BU of 5gmp by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with XTF-262
Descriptor: Epidermal growth factor receptor, N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-07-14
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties.
Eur J Med Chem, 126, 2017
8OZD
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BU of 8ozd by Molmil
cryoEM structure of SPARTA complex dimer-3
Descriptor: DNA (16-MER), Piwi domain-containing protein, RNA (18-MER), ...
Authors:Ekundayo, B, Ni, D.C, Lu, X.H, Stahlberg, H.
Deposit date:2023-05-09
Release date:2023-08-16
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Activation mechanism of a short argonaute-TIR prokaryotic immune system.
Sci Adv, 9, 2023
8OZC
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BU of 8ozc by Molmil
cryoEM structure of SPARTA complex heterodimer apo
Descriptor: Piwi domain-containing protein, TIR domain-containing protein
Authors:Ekundayo, B, Ni, D.C, Lu, X.H, Stahlberg, H.
Deposit date:2023-05-09
Release date:2023-08-16
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Activation mechanism of a short argonaute-TIR prokaryotic immune system.
Sci Adv, 9, 2023
6LYI
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BU of 6lyi by Molmil
Crystal structure of a N-methyltransferase CkTbS from Camellia assamica var. kucha
Descriptor: N-methyltransferase CkTbS
Authors:Wang, Y, Zhang, Z.M.
Deposit date:2020-02-14
Release date:2020-03-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Identification and characterization of N9-methyltransferase involved in converting caffeine into non-stimulatory theacrine in tea.
Nat Commun, 11, 2020
8J61
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BU of 8j61 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.05065274 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J5W
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BU of 8j5w by Molmil
The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28041458 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J5X
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BU of 8j5x by Molmil
The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09192252 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J63
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BU of 8j63 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.0005 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8JFK
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BU of 8jfk by Molmil
PhK holoenzyme in inactive state, muscle isoform
Descriptor: Calmodulin-1, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ...
Authors:Yang, X.K, Xiao, J.Y.
Deposit date:2023-05-18
Release date:2024-04-03
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
8JFL
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BU of 8jfl by Molmil
PhK holoenzyme in active state, muscle isoform
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ...
Authors:Yang, X.K, Xiao, J.Y.
Deposit date:2023-05-18
Release date:2024-04-03
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
7KPF
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BU of 7kpf by Molmil
NME2 bound to myristoyl-CoA
Descriptor: GLYCEROL, MAGNESIUM ION, Nucleoside diphosphate kinase B, ...
Authors:Price, I.R, Lin, H.
Deposit date:2020-11-11
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:A Chemical Proteomic Approach reveals the regulation of NME1/2 and cancer metastasis by Long-Chain Fatty Acyl Coenzyme A
To Be Published
4NSQ
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BU of 4nsq by Molmil
Crystal structure of PCAF
Descriptor: COENZYME A, Histone acetyltransferase KAT2B
Authors:Lin, J.Y, Cai, Y.F.
Deposit date:2013-11-28
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3108 Å)
Cite:Dimeric structure of p300/CBP associated factor.
Bmc Struct.Biol., 14, 2014
4JOD
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BU of 4jod by Molmil
Crystal structure of human lysophosphatidic acid phosphatase type 6 complexed with Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysophosphatidic acid phosphatase type 6
Authors:Li, J.
Deposit date:2013-03-18
Release date:2013-07-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structures and biochemical studies of human lysophosphatidic acid phosphatase type 6.
Protein Cell, 4, 2013
4JOB
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BU of 4job by Molmil
Crystal structure of human lysophosphatidic acid phosphatase type 6 complexed with L-(+)-tartrate
Descriptor: L(+)-TARTARIC ACID, Lysophosphatidic acid phosphatase type 6
Authors:Li, J.
Deposit date:2013-03-18
Release date:2013-07-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.171 Å)
Cite:Crystal structures and biochemical studies of human lysophosphatidic acid phosphatase type 6
Protein Cell, 4, 2013
4JOC
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BU of 4joc by Molmil
Crystal structure of human lysophosphatidic acid phosphatase type 6 complexed with Malonate
Descriptor: Lysophosphatidic acid phosphatase type 6, MALONIC ACID
Authors:Li, J.
Deposit date:2013-03-18
Release date:2013-07-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Crystal structures and biochemical studies of human lysophosphatidic acid phosphatase type 6
Protein Cell, 4, 2013
5DD1
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BU of 5dd1 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
Descriptor: ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB LIGHT CHAIN
Authors:Zhang, R, Verkoczy, L, Wiehe, K, Alam, S.M, Nicely, N.I, Santra, S, Bradley, T, Pemble, C, Gao, F, Montefiori, D.C, Bouton-Verville, H, Kelsoe, G, Parks, R, Foulger, A, Tomaras, G, Keple, T.B, Moody, M.A, Liao, H.-X, Haynes, B.F.
Deposit date:2015-08-24
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
5DD5
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BU of 5dd5 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
Descriptor: ANTI-HIV ANTIBODY DH570.9 FAB HEAVY CHAIN
Authors:Nicely, N.I, Pemble IV, C.W, Haynes, B.F.
Deposit date:2015-08-24
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016

221051

数据于2024-06-12公开中

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