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4WSP
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BU of 4wsp by Molmil
Racemic crystal structure of Rv1738 from Mycobacterium tuberculosis (Form-I)
分子名称: CHLORIDE ION, protein DL-Rv1738
著者Bunker, R.D, Mandal, K, Kent, S.B.H, Baker, E.N.
登録日2014-10-28
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A functional role of Rv1738 in Mycobacterium tuberculosis persistence suggested by racemic protein crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
5H2B
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BU of 5h2b by Molmil
Structure of a novel antibody G196
分子名称: G196 antibody Heavy chain, G196 antibody Light chain
著者Park, S.Y, Sugiyama, K.
登録日2016-10-14
公開日2017-03-22
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献G196 epitope tag system: a novel monoclonal antibody, G196, recognizes the small, soluble peptide DLVPR with high affinity.
Sci Rep, 7, 2017
6CPW
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BU of 6cpw by Molmil
Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology
分子名称: (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Hruza, A, Hruza, A.
登録日2018-03-14
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
5DWR
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BU of 5dwr by Molmil
Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies
分子名称: N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C, Bussiere, D, Burger, M.
登録日2015-09-22
公開日2015-11-11
最終更新日2015-11-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015
4N6Z
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BU of 4n6z by Molmil
Pim1 Complexed with a pyridylcarboxamide
分子名称: 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4N70
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Pim1 Complexed with a pyridylcarboxamide
分子名称: N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4N6Y
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BU of 4n6y by Molmil
Pim1 Complexed with a phenylcarboxamide
分子名称: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
7XGA
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BU of 7xga by Molmil
NMR strucutre of chimeric protein for model of PHD-Stella complex
分子名称: Chimera of E3 ubiquitin-protein ligase UHRF1 and Developmental pluripotency-associated protein 3, ZINC ION
著者Kobayashi, N, Konuma, T, Arita, K.
登録日2022-04-04
公開日2022-12-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for the unique multifaceted interaction of DPPA3 with the UHRF1 PHD finger.
Nucleic Acids Res., 50, 2022
7FE5
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BU of 7fe5 by Molmil
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
分子名称: AvmM, CACODYLATE ION, CHLORIDE ION
著者Zhang, B, Ge, H.M.
登録日2021-07-19
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
7FE6
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AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
分子名称: Alchivemycin A, AvmM, CHLORIDE ION
著者Zhang, B, Ge, H.M.
登録日2021-07-19
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
7FE0
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AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
分子名称: AvmM, CACODYLATE ION, CHLORIDE ION, ...
著者Zhang, B, Ge, H.M.
登録日2021-07-19
公開日2021-09-01
最終更新日2022-09-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
4K2X
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BU of 4k2x by Molmil
OxyS anhydrotetracycline hydroxylase from Streptomyces rimosus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Polyketide oxygenase/hydroxylase
著者Wang, P, Sawaya, M.R, Tang, Y.
登録日2013-04-09
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Uncovering the Enzymes that Catalyze the Final Steps in Oxytetracycline Biosynthesis.
J.Am.Chem.Soc., 135, 2013
8GDC
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BU of 8gdc by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S.
登録日2023-03-03
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
3VVA
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BU of 3vva by Molmil
Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ascofuranone derivative
分子名称: 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde, Alternative oxidase, mitochondrial, ...
著者Shiba, T, Kido, Y, Sakamoto, K, Inaoka, D.K, Tsuge, C, Tatsumi, R, Balogun, E.O, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Saimoto, H, Moore, A.L, Harada, S, Kita, K.
登録日2012-07-17
公開日2013-03-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure of the trypanosome cyanide-insensitive alternative oxidase
Proc.Natl.Acad.Sci.USA, 110, 2013
3VV9
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Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei
分子名称: Alternative oxidase, mitochondrial, FE (III) ION, ...
著者Shiba, T, Kido, Y, Sakamoto, K, Inaoka, D.K, Tsuge, C, Tatsumi, R, Balogun, E.O, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Saimoto, H, Moore, A.L, Harada, S, Kita, K.
登録日2012-07-17
公開日2013-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure of the trypanosome cyanide-insensitive alternative oxidase
Proc.Natl.Acad.Sci.USA, 110, 2013
3WIY
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BU of 3wiy by Molmil
Crystal structure of Mcl-1 in complex with compound 10
分子名称: 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Sogabe, S, Igaki, S, Hayano, Y.
登録日2013-09-26
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
3WIZ
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BU of 3wiz by Molmil
Crystal structure of Bcl-xL in complex with compound 10
分子名称: 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Bcl-2-like protein 1, PHOSPHATE ION
著者Sogabe, S, Igaki, S, Hayano, Y.
登録日2013-09-26
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
3WIX
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Crystal structure of Mcl-1 in complex with compound 4
分子名称: 7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Sogabe, S, Igaki, S, Hayano, Y.
登録日2013-09-26
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013

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