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6UVS
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BU of 6uvs by Molmil
Human Connexin-26 (Low pH open conformation)
分子名称: Gap junction beta-2 protein
著者Khan, A.K, Jagielnicki, M, Purdy, M.D, Yeager, M.
登録日2019-11-04
公開日2020-04-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献A Steric "Ball-and-Chain" Mechanism for pH-Mediated Regulation of Gap Junction Channels.
Cell Rep, 31, 2020
8BUZ
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BU of 8buz by Molmil
Structure of Adenylyl cyclase 8 bound to stimulatory G-protein, Ca2+/Calmodulin, Forskolin and MANT-GTP
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 8, FORSKOLIN, ...
著者Khanppnavar, B, Korkhov, V.M, Mehta, V.
登録日2022-12-01
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of Adenylyl cyclase 8 bound to stimulatory G-protein, Ca2+/Calmodulin, Forskolin and MANT-GTP
To Be Published
6UUS
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BU of 6uus by Molmil
CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin peptide
分子名称: ADM, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
登録日2019-10-31
公開日2020-04-01
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
6UVA
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BU of 6uva by Molmil
CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin 2 peptide
分子名称: Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
登録日2019-11-01
公開日2020-04-01
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
6UVT
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BU of 6uvt by Molmil
Human Connexin-26 (Low pH closed conformation)
分子名称: Gap junction beta-2 protein
著者Khan, A.K, Jagielnicki, M, Purdy, M.D, Yeager, M.
登録日2019-11-04
公開日2020-04-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献A Steric 'Ball-and-Chain' Mechanism for pH-Mediated Regulation of Gap Junction Channels
Cell Rep, 31, 2020
6UUN
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BU of 6uun by Molmil
CryoEM Structure of the active Adrenomedullin 1 receptor G protein complex with adrenomedullin peptide
分子名称: ADM, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
登録日2019-10-30
公開日2020-03-25
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
6UVR
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BU of 6uvr by Molmil
Human Connexin-26 (Neutral pH open conformation)
分子名称: Gap junction beta-2 protein
著者Khan, A.K, Jagielnicki, M, Purdy, M.D, Yeager, M.
登録日2019-11-04
公開日2020-04-29
最終更新日2020-05-06
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献A Steric "Ball-and-Chain" Mechanism for pH-Mediated Regulation of Gap Junction Channels.
Cell Rep, 31, 2020
2GBI
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BU of 2gbi by Molmil
rat DPP-IV with xanthine inhibitor 4
分子名称: 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, Dipeptidyl peptidase 4
著者Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S.
登録日2006-03-10
公開日2006-07-04
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.
Biochemistry, 45, 2006
2GBF
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rat dpp-IV with alkynyl cyanopyrrolidine #1
分子名称: (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE, Dipeptidyl peptidase 4
著者Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S.
登録日2006-03-10
公開日2006-07-04
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.
Biochemistry, 45, 2006
2G5T
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BU of 2g5t by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag
分子名称: 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID, Dipeptidyl peptidase 4
著者Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X.
登録日2006-02-23
公開日2006-07-04
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
2GH2
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BU of 2gh2 by Molmil
1.5 A Resolution R. Norvegicus Cysteine Dioxygenase Structure Crystallized in the Presence of Cysteine
分子名称: Cysteine dioxygenase type I, FE (III) ION, SULFATE ION
著者Simmons, C.R, Karplus, P.A, Stipanuk, M.H.
登録日2006-03-24
公開日2006-04-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Mammalian Cysteine Dioxygenase: A NOVEL MONONUCLEAR IRON CENTER FOR CYSTEINE THIOL OXIDATION.
J.Biol.Chem., 281, 2006
2G9R
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BU of 2g9r by Molmil
The crystal structure of glycogen phosphorylase b in complex with (3R,4R,5R)-5-hydroxymethyl-1-(3-phenylpropyl)-piperidine-3,4-diol
分子名称: (3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL, Glycogen phosphorylase, muscle form
著者Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E.
登録日2006-03-07
公開日2007-01-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.
J.Med.Chem., 49, 2006
4M2S
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BU of 4m2s by Molmil
Corrected Structure of Mouse P-glycoprotein bound to QZ59-RRR
分子名称: (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1A
著者Li, J, Jaimes, K.F, Aller, S.G.
登録日2013-08-05
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Refined structures of mouse P-glycoprotein.
Protein Sci., 23, 2014
4M1M
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BU of 4m1m by Molmil
Corrected Structure of Mouse P-glycoprotein
分子名称: MERCURY (II) ION, Multidrug resistance protein 1A
著者Li, J, Jaimes, K.F, Aller, S.G.
登録日2013-08-03
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Refined structures of mouse P-glycoprotein.
Protein Sci., 23, 2014
4LSG
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BU of 4lsg by Molmil
Structure of Mouse P-Glycoprotein
分子名称: MERCURY (II) ION, Multidrug resistance protein 1A
著者Chang, G, Szewczyk, P.
登録日2013-07-22
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献

4LTE
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BU of 4lte by Molmil
Structure of Cysteine-free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor
分子名称: 2,6-DIAMINO-HEXANOIC ACID AMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ...
著者Foda, Z.H, Seeliger, M.A, Saghatelian, A, Liu, D.R.
登録日2013-07-23
公開日2014-05-21
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Anti-diabetic activity of insulin-degrading enzyme inhibitors mediated by multiple hormones.
Nature, 511, 2014
4M2T
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BU of 4m2t by Molmil
Corrected Structure of Mouse P-glycoprotein bound to QZ59-SSS
分子名称: (4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1A
著者Li, J, Jaimes, K.F, Aller, S.G.
登録日2013-08-05
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.35 Å)
主引用文献Refined structures of mouse P-glycoprotein.
Protein Sci., 23, 2014
2GMV
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BU of 2gmv by Molmil
PEPCK complex with a GTP-competitive inhibitor
分子名称: MANGANESE (II) ION, N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE, PHOSPHOENOLPYRUVATE, ...
著者Dunten, P.
登録日2006-04-07
公開日2007-05-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase.
Bioorg.Med.Chem.Lett., 17, 2007
2GU8
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Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies
分子名称: CAMP-dependent protein kinase, alpha-catalytic subunit, N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE, ...
著者Murray, J.M.
登録日2006-04-28
公開日2007-05-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies
Bioorg.Med.Chem.Lett., 16, 2006
4MX3
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BU of 4mx3 by Molmil
Crystal Structure of PKA RIalpha Homodimer
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者Bruystens, J.G.H, Wu, J, Fortezzo, A, Kornev, A.P, Blumenthal, D.A, Taylor, S.S.
登録日2013-09-25
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.88 Å)
主引用文献PKA RI alpha Homodimer Structure Reveals an Intermolecular Interface with Implications for Cooperative cAMP Binding and Carney Complex Disease.
Structure, 22, 2014
2HHA
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BU of 2hha by Molmil
The structure of DPP4 in complex with an oxadiazole inhibitor
分子名称: (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2006-06-28
公開日2006-09-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
4N8E
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DPP4 complexed with compound 12a
分子名称: 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2013-10-17
公開日2014-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
4N8D
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DPP4 complexed with syn-7aa
分子名称: 1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2013-10-17
公開日2014-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
2I78
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Crystal structure of human dipeptidyl peptidase IV (DPP IV) complexed with ABT-341, a cyclohexene-constrained phenethylamine inhibitor
分子名称: (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE, Dipeptidyl peptidase IV
著者Longenecker, K.L, Pei, Z, Li, X.
登録日2006-08-30
公開日2007-10-09
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Cyclohexene-constrained Phenethylamine ABT-341, a Highly Potent, Selective, Orally Bioavailable, Safe and Potential Next-generation Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
To be Published
4NTT
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Structure of the catalytic subunit of cAMP-dependent protein kinase bound to ADP and one magnesium ion
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha
著者Bastidas, A.C, Wu, J, Taylor, S.S.
登録日2013-12-02
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Molecular Features of Product Release for the PKA Catalytic Cycle.
Biochemistry, 54, 2015

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