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4OKY
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BU of 4oky by Molmil
Crystal structure of PvuRts1I, a 5-hydroxymethylcytosine DNA restriction endonuclease
分子名称: Restriction endonuclease PvuRts1 I
著者Wang, C.L, Shao, C, Zang, J.Y.
登録日2014-01-23
公開日2014-09-10
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for the substrate selectivity of PvuRts1I, a 5-hydroxymethylcytosine DNA restriction endonuclease
Acta Crystallogr.,Sect.D, 70, 2014
6XOG
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BU of 6xog by Molmil
Structure of SUMO1-ML786519 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOH
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BU of 6xoh by Molmil
Structure of SUMO1-ML00789344 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOI
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BU of 6xoi by Molmil
Structure of SUMO1-ML00752641 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7XTG
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BU of 7xtg by Molmil
Cryo-EM structure of Listeria monocytogenes man-PTS complexed with pediocin PA-1
分子名称: Bacteriocin curvacin-A, Mannose permease IIC component, Mannose permease IID component, ...
著者Zeng, J.W, Wang, J.W, Zhu, L.Y.
登録日2022-05-17
公開日2023-06-07
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Structural Basis of the Immunity Mechanisms of Pediocin-like Bacteriocins.
Appl.Environ.Microbiol., 88, 2022
6M2L
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BU of 6m2l by Molmil
Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361
分子名称: (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Hexose transporter 1
著者Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N.
登録日2020-02-27
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
6M20
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BU of 6m20 by Molmil
Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose
分子名称: Hexose transporter 1, beta-D-glucopyranose, nonyl beta-D-glucopyranoside
著者Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N.
登録日2020-02-26
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
6X3N
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BU of 6x3n by Molmil
Co-structure of BTK kinase domain with L-005085737 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
5DI1
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BU of 5di1 by Molmil
MAP4K4 in complex with an inhibitor
分子名称: 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4
著者Liu, S.
登録日2015-08-31
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
6X3O
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BU of 6x3o by Molmil
Co-structure of BTK kinase domain with L-005191930 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
5DD1
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BU of 5dd1 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
分子名称: ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB LIGHT CHAIN
著者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.
登録日2015-08-24
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
6DDI
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BU of 6ddi by Molmil
Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2, ...
著者White, S.W, Yun, M.
登録日2018-05-10
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
4OWW
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BU of 4oww by Molmil
Structural basis of SOSS1 in complex with a 35nt ssDNA
分子名称: DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), Integrator complex subunit 3, SOSS complex subunit B1, ...
著者Ren, W, Sun, Q, Tang, X, Song, H.
登録日2014-02-04
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of SOSS1 Complex Assembly and Recognition of ssDNA.
Cell Rep, 6, 2014
6DNA
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BU of 6dna by Molmil
Crystal structure of T110A mutant human Glutamate oxaloacetate transaminase 1 (GOT1)
分子名称: Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ...
著者Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A.
登録日2018-06-06
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
4FHA
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BU of 4fha by Molmil
Structure of Dihydrodipicolinate Synthase from Streptococcus pneumoniae,bound to pyruvate and lysine
分子名称: Dihydrodipicolinate synthase, LYSINE, SODIUM ION
著者Perugini, M.A, Dogovski, C, Parker, M.W, Gorman, M.A.
登録日2012-06-06
公開日2013-09-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure, Function, Stability and Knockout Phenotype of Dihydrodipicolinate Synthase from Streptococcus pneumoniae
To be Published
5DHB
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BU of 5dhb by Molmil
Cooperativity and Downstream Binding in RNA Replication
分子名称: GUANOSINE-5'-MONOPHOSPHATE, RNA (5'-R(*(LCC)P*(TLN)P*(LCG)P*UP*AP*CP*A)-3')
著者Zhang, W, Fahrenbach, A.C, Tam, C.P, Szostak, J.W.
登録日2015-08-30
公開日2016-12-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unusual Base-Pairing Interactions in Monomer-Template Complexes.
ACS Cent Sci, 2, 2016
5DHC
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BU of 5dhc by Molmil
Cooperativity and Downstream Binding in RNA Replication
分子名称: GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3')
著者Zhang, W, Fahrenbach, A.C, Tam, C.P, Szostak, J.W.
登録日2015-08-30
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Unusual Base-Pairing Interactions in Monomer-Template Complexes.
ACS Cent Sci, 2, 2016
5DIH
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BU of 5dih by Molmil
Structure of Haliangium ochraceum BMC-T HO-5812
分子名称: Microcompartments protein
著者Sutter, M, Aussignargues, C, Turmo, A, Kerfeld, C.A.
登録日2015-09-01
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Structure and Function of a Bacterial Microcompartment Shell Protein Engineered to Bind a [4Fe-4S] Cluster.
J.Am.Chem.Soc., 138, 2016
5DII
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BU of 5dii by Molmil
Structure of an engineered bacterial microcompartment shell protein binding a [4Fe-4S] cluster
分子名称: IRON/SULFUR CLUSTER, Microcompartments protein
著者Sutter, M, Aussignargues, C, Turmo, A, Kerfeld, C.A.
登録日2015-09-01
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Structure and Function of a Bacterial Microcompartment Shell Protein Engineered to Bind a [4Fe-4S] Cluster.
J.Am.Chem.Soc., 138, 2016
6DDJ
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BU of 6ddj by Molmil
Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2
著者White, S.W, Yun, M.
登録日2018-05-10
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
6DND
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BU of 6dnd by Molmil
Crystal structure of wild-type (WT) human Glutamate oxaloacetate transaminase 1 (GOT1)
分子名称: Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ...
著者Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A.
登録日2018-06-06
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
3UM2
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BU of 3um2 by Molmil
Crystal structure of the Brox Bro1 domain in complex with the C-terminal tail of CHMP5
分子名称: BRO1 domain-containing protein BROX, Charged multivesicular body protein 5, GLYCEROL
著者Jiang, J.S, Mu, R.L, Xiao, T.
登録日2011-11-12
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.589 Å)
主引用文献Two Distinct Binding Modes Define the Interaction of Brox with the C-Terminal Tails of CHMP5 and CHMP4B.
Structure, 20, 2012
3ULY
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BU of 3uly by Molmil
Crystal Structure of BROX Bro1 Domain in Complex with the C-Terminal Tails of CHMP5
分子名称: BRO1 domain-containing protein BROX, Charged multivesicular body protein 5, GLYCEROL
著者Jiang, J.S, Mu, R.L, Xiao, T.
登録日2011-11-11
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two Distinct Binding Modes Define the Interaction of Brox with the C-Terminal Tails of CHMP5 and CHMP4B.
Structure, 20, 2012
3UM3
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BU of 3um3 by Molmil
Crystal structure of the Brox Bro1 domain in complex with the C-terminal tail of CHMP4B
分子名称: BRO1 domain-containing protein BROX, Charged multivesicular body protein 4b
著者Jiang, J.S, Mu, R.L, Xiao, T.
登録日2011-11-12
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Two Distinct Binding Modes Define the Interaction of Brox with the C-Terminal Tails of CHMP5 and CHMP4B.
Structure, 20, 2012
3UM0
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BU of 3um0 by Molmil
Crystal structure of the Brox Bro1 domain in complex with the C-terminal tail of CHMP5
分子名称: BRO1 domain-containing protein BROX, Charged multivesicular body protein 5, GLYCEROL
著者Jiang, J.S, Mu, R.L, Xiao, T.
登録日2011-11-11
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Two Distinct Binding Modes Define the Interaction of Brox with the C-Terminal Tails of CHMP5 and CHMP4B.
Structure, 20, 2012

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