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5VME
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BU of 5vme by Molmil
Crystal structure of human IgG1 Fc K248E, T437R mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, human IgG1 Fc K248E,T437R mutant
Authors:Armstrong, A.A, Gilliland, G.L.
Deposit date:2017-04-27
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Functional optimization of agonistic antibodies to OX40 receptor with novel Fc mutations to promote antibody multimerization.
MAbs, 9, 2017
1M53
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BU of 1m53 by Molmil
CRYSTAL STRUCTURE OF ISOMALTULOSE SYNTHASE (PALI) FROM KLEBSIELLA SP. LX3
Descriptor: Isomaltulose Synthase
Authors:Li, N, Swaminathan, K.
Deposit date:2002-07-08
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isomaltulose synthase (PalI) of Klebsiella sp. LX3. Crystal structure and implication of mechanism
J.Biol.Chem., 278, 2003
6EW3
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BU of 6ew3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J.
Deposit date:2017-11-03
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
7Y8W
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BU of 7y8w by Molmil
Crystal structure of DLC-1/SAO-1 complex
Descriptor: Dynein light chain 1, cytoplasmic, GLYCEROL, ...
Authors:Yan, H, Zhao, C, Wei, Z, Yu, C.
Deposit date:2022-06-24
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interaction between DLC-1 and SAO-1 facilitates CED-4 translocation during apoptosis in the Caenorhabditis elegans germline.
Cell Death Discov, 8, 2022
6TXZ
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BU of 6txz by Molmil
FAB PART OF M6903 IN COMPLEX WITH HUMAN TIM3
Descriptor: Fab H, Fab L, Hepatitis A virus cellular receptor 2
Authors:Musil, D, Sood, V.
Deposit date:2020-01-15
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Identification and characterization of M6903, an antagonistic anti-TIM-3 monoclonal antibody.
Oncoimmunology, 9, 2020
8EJB
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BU of 8ejb by Molmil
Bruton's tyrosine kinase in complex with 3-{[4-(1-acetylpiperidin-4-yl)phenyl]amino}-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2022-09-16
Release date:2023-02-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:NRX-0492 degrades wild-type and C481 mutant BTK and demonstrates in vivo activity in CLL patient-derived xenografts.
Blood, 141, 2023
5GSN
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BU of 5gsn by Molmil
Tmm in complex with methimazole
Descriptor: 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, ...
Authors:Zhang, Y.Z, Li, C.Y.
Deposit date:2016-08-16
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
4Z0C
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BU of 4z0c by Molmil
Crystal structure of TLR13-ssRNA13 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-R(P*AP*CP*GP*GP*AP*AP*AP*GP*AP*CP*CP*CP*C)-3'), ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2015-03-26
Release date:2015-10-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for specific recognition of single-stranded RNA by Toll-like receptor 13
Nat.Struct.Mol.Biol., 22, 2015
3KU0
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BU of 3ku0 by Molmil
Structure of GAP31 with adenine at its binding pocket
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein gelonin
Authors:Kong, X.-P.
Deposit date:2009-11-26
Release date:2010-01-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions.
Biochem.Biophys.Res.Commun., 391, 2010
7CPU
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BU of 7cpu by Molmil
Cryo-EM structure of 80S ribosome from mouse kidney
Descriptor: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
Authors:Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H.
Deposit date:2020-08-08
Release date:2022-02-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:A male germ-cell-specific ribosome controls male fertility.
Nature, 612, 2022
7CPV
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BU of 7cpv by Molmil
Cryo-EM structure of 80S ribosome from mouse testis
Descriptor: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
Authors:Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H.
Deposit date:2020-08-08
Release date:2022-02-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:A male germ-cell-specific ribosome controls male fertility.
Nature, 612, 2022
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
Descriptor: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
Authors:Wang, C, Zhang, P, Dong, J.
Deposit date:2016-03-07
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5HX6
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BU of 5hx6 by Molmil
Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one
Descriptor: 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Campobasso, N, Ward, P.
Deposit date:2016-01-29
Release date:2016-03-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016
5IPY
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BU of 5ipy by Molmil
Crystal structure of WT RnTmm
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2016-03-10
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
5IQ1
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BU of 5iq1 by Molmil
Crystal structure of RnTmm mutant Y207S
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2016-03-10
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
5IQ4
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BU of 5iq4 by Molmil
Crystal structure of RnTmm mutant Y207S soaking
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, Y.Z, Li, C.Y.
Deposit date:2016-03-10
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
6KEY
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BU of 6key by Molmil
Structural basis for the regulation of inducible nitric oxide synthase (iNOS) by the SPRY domain-containing SOCS box protein 2 (SPSB2)
Descriptor: Nitric oxide synthase, inducible, SPRY domain-containing SOCS box protein 2
Authors:Li, K, Kuang, Z.
Deposit date:2019-07-05
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural basis for the regulation of inducible nitric oxide synthase by the SPRY domain-containing SOCS box protein SPSB2, an E3 ubiquitin ligase.
Nitric Oxide, 113-114, 2021
6K8I
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BU of 6k8i by Molmil
Crystal structure of Arabidopsis thaliana CRY2
Descriptor: Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Ma, L, Wang, X, Guan, Z, Yin, P.
Deposit date:2019-06-12
Release date:2020-05-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Structural insights into BIC-mediated inactivation of Arabidopsis cryptochrome 2.
Nat.Struct.Mol.Biol., 27, 2020
6KVN
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BU of 6kvn by Molmil
Crystal structure of chloroplast resolvase
Descriptor: NtMOC1
Authors:Yan, J.J, Hong, S.X, Guan, Z.Y, Yin, P.
Deposit date:2019-09-05
Release date:2020-04-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural insights into sequence-dependent Holliday junction resolution by the chloroplast resolvase MOC1.
Nat Commun, 11, 2020
6LJJ
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BU of 6ljj by Molmil
Swine dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 1, ...
Authors:Liang, R, Peng, G.Q.
Deposit date:2019-12-16
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LCT
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BU of 6lct by Molmil
Crystal structure of catalytic inactive chloroplast resolvase NtMOC1 in complex with Holliday junction
Descriptor: DNA (5'-D(*AP*AP*GP*AP*TP*GP*TP*CP*CP*CP*TP*CP*TP*GP*TP*TP*GP*T)-3'), DNA (5'-D(*AP*CP*AP*AP*CP*AP*GP*AP*GP*GP*AP*TP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*GP*CP*CP*TP*TP*GP*CP*TP*GP*GP*GP*AP*CP*AP*TP*CP*TP*T)-3'), ...
Authors:Yan, J.J, Hong, S.X, Guan, Z.Y, Yin, P.
Deposit date:2019-11-19
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural insights into sequence-dependent Holliday junction resolution by the chloroplast resolvase MOC1.
Nat Commun, 11, 2020
6KVO
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BU of 6kvo by Molmil
Crystal structure of chloroplast resolvase in complex with Holliday junction
Descriptor: DNA (5'-D(*AP*CP*AP*AP*CP*AP*GP*AP*TP*GP*AP*TP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*GP*CP*CP*TP*TP*GP*CP*TP*TP*GP*GP*AP*CP*AP*TP*CP*TP*T)-3'), DNA (5'-D(P*AP*AP*GP*AP*TP*GP*TP*CP*CP*AP*TP*CP*TP*GP*TP*TP*GP*T)-3'), ...
Authors:Yan, J.J, Hong, S.X, Guan, Z.Y, Yin, P.
Deposit date:2019-09-05
Release date:2020-04-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into sequence-dependent Holliday junction resolution by the chloroplast resolvase MOC1.
Nat Commun, 11, 2020
6LCM
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BU of 6lcm by Molmil
Crystal structure of chloroplast resolvase ZmMOC1 with the magic triangle I3C
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, ZmMoc1
Authors:Yan, J.J, Hong, S.X, Guan, Z.Y, Yin, P.
Deposit date:2019-11-19
Release date:2020-04-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into sequence-dependent Holliday junction resolution by the chloroplast resolvase MOC1.
Nat Commun, 11, 2020
1QK6
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BU of 1qk6 by Molmil
Solution structure of huwentoxin-I by NMR
Descriptor: HUWENTOXIN-I
Authors:Qu, Y, Liang, S, Ding, J, Liu, X, Zhang, R, Gu, X.
Deposit date:1999-07-10
Release date:1999-08-20
Last modified:2019-01-16
Method:SOLUTION NMR
Cite:Proton Nuclear Magnetic Resonance Studies on Huwentoxin-I from the Venom of the Spider Selenocosmia Huwena:2.Three-Dimensional Structure in Solution
J.Protein Chem., 16, 1997
4WWP
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BU of 4wwp by Molmil
Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine
Descriptor: GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ...
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015

224004

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