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4PER
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BU of 4per by Molmil
Structure of Gallus gallus ribonuclease inhibitor complexed with Gallus gallus ribonuclease I
Descriptor: Angiogenin, Ribonuclease Inhibitor
Authors:Bianchetti, C.M, Lomax, J.E, Raines, R.T, Fox, B.G.
Deposit date:2014-04-24
Release date:2014-06-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Functional evolution of ribonuclease inhibitor: insights from birds and reptiles.
J.Mol.Biol., 426, 2014
4PEQ
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BU of 4peq by Molmil
Structure of bovine ribonuclease inhibitor complexed with bovine ribonuclease I
Descriptor: Ribonuclease pancreatic, Ribonuclease/angiogenin inhibitor 1
Authors:Bianchetti, C.M, Lomax, J.E, Raines, R.T, Fox, B.G.
Deposit date:2014-04-24
Release date:2014-06-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.211 Å)
Cite:Functional evolution of ribonuclease inhibitor: insights from birds and reptiles.
J.Mol.Biol., 426, 2014
6D8Q
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BU of 6d8q by Molmil
NMR solution structure of tamapin, mutant DP30/Y31+N
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
Deposit date:2018-04-26
Release date:2019-05-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D8Y
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BU of 6d8y by Molmil
NMR solution structure of tamapin, mutant Y31H
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
Deposit date:2018-04-27
Release date:2019-05-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D8R
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BU of 6d8r by Molmil
NMR solution structure of tamapin, mutant E25K
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
Deposit date:2018-04-26
Release date:2019-05-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D8U
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BU of 6d8u by Molmil
NMR solution structure of tamapin, mutant K20E
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
Deposit date:2018-04-26
Release date:2019-05-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D93
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BU of 6d93 by Molmil
NMR solution structure of tamapin, mutant Y31A
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
Deposit date:2018-04-27
Release date:2019-05-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D9P
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BU of 6d9p by Molmil
NMR solution structure of tamapin, mutant K27A
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
Deposit date:2018-04-30
Release date:2019-05-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D3T
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BU of 6d3t by Molmil
NMR solution structure of tamapin, mutant DP30
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G, Mayorga Flores, M.
Deposit date:2018-04-16
Release date:2019-07-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D8S
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BU of 6d8s by Molmil
NMR solution structure of tamapin, mutant K27E
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
Deposit date:2018-04-26
Release date:2019-05-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
1SDX
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BU of 1sdx by Molmil
Crystal structure of the zinc saturated C-terminal half of bovine lactoferrin at 2.0 A resolution reveals two additional zinc binding sites
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, Lactotransferrin, ...
Authors:Jabeen, T, Sharma, S, Singhal, G, Singh, N, Singh, T.P.
Deposit date:2004-02-15
Release date:2004-03-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure of the zinc-saturated C-terminal lobe of bovine lactoferrin at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 61, 2005
5ZXI
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BU of 5zxi by Molmil
Co-crystal structure of an Inhibitor in complex with human PPARdelta LBD
Descriptor: 6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Rani, S.T, Laxminarasimhan, A, Senaiar, R.S, Krishnamurthy, N.
Deposit date:2018-05-21
Release date:2019-04-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective PPAR delta Modulators Improve Mitochondrial Function: Potential Treatment for Duchenne Muscular Dystrophy (DMD).
ACS Med Chem Lett, 9, 2018
3SDB
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BU of 3sdb by Molmil
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in apo form
Descriptor: Glutamine-dependent NAD(+) synthetase
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-06-09
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0017 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
6D9O
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BU of 6d9o by Molmil
NMR solution structure of tamapin, mutant E25A
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
Deposit date:2018-04-30
Release date:2019-05-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6EIA
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BU of 6eia by Molmil
PepTSt in complex with HEPES (100 mM)
Descriptor: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Martinez Molledo, M, Quistgaard, E.M, Loew, C.
Deposit date:2017-09-18
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multispecific Substrate Recognition in a Proton-Dependent Oligopeptide Transporter.
Structure, 26, 2018
4GRH
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BU of 4grh by Molmil
Crystal structure of pabB of Stenotrophomonas maltophilia
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, MAGNESIUM ION, POLYETHYLENE GLYCOL (N=34), ...
Authors:Bera, A, Atanasova, V, Ladner, J.E, Parsons, J.F.
Deposit date:2012-08-24
Release date:2012-12-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of Aminodeoxychorismate Synthase from Stenotrophomonas maltophilia.
Biochemistry, 51, 2012
7K6H
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BU of 7k6h by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to XMD8-92
Descriptor: 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
Authors:Karim, M.R, Zhu, J.Y, Schonbrunn, E.
Deposit date:2020-09-20
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7K6G
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BU of 7k6g by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to ERK5-IN-1
Descriptor: 1,2-ETHANEDIOL, 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
Authors:Karim, M.R, Zhu, J.Y, Schonbrunn, E.
Deposit date:2020-09-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
5T7V
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BU of 5t7v by Molmil
Methicillin Resistant, Linezolid resistant Staphylococcus aureus 70S ribosome (delta S145 uL3)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Belousoff, M.J, Lithgow, T, Eyal, Z, Yonath, A, Radjainia, M.
Deposit date:2016-09-06
Release date:2017-05-31
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis for Linezolid Binding Site Rearrangement in theStaphylococcus aureusRibosome.
MBio, 8, 2017
2JYM
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BU of 2jym by Molmil
Solution structure of stem-loop alpha of the hepatitis B virus post-transcriptional regulatory element
Descriptor: RNA (5'-R(*GP*GP*CP*UP*CP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*UP*GP*GP*AP*GP*UP*C)-3')
Authors:Ohlenschlager, O, Gorlach, M, Schwalbe, M.
Deposit date:2007-12-14
Release date:2008-04-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of stem-loop alpha of the hepatitis B virus post-transcriptional regulatory element
Nucleic Acids Res., 36, 2008
4QL8
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BU of 4ql8 by Molmil
Crystal structure of Androgen Receptor in complex with the ligand
Descriptor: 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor
Authors:Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S.
Deposit date:2014-06-11
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration
J.Med.Chem., 57, 2014
3IB2
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BU of 3ib2 by Molmil
structure of the complex of C-terminal half (C-lobe) of bovine lactoferrin with alpha-methyl-4-(2-methylpropyl) benzene acetic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
Authors:Mir, R, Vikram, G, Kumar, R.P, Sinha, M, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2009-07-15
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The structural basis for the prevention of nonsteroidal antiinflammatory drug-induced gastrointestinal tract damage by the C-lobe of bovine colostrum lactoferrin.
Biophys.J., 97, 2009
2EWL
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BU of 2ewl by Molmil
Solution structure of the C-terminal domain (monomer) of the HPV45 oncoprotein E7
Descriptor: Protein E7, ZINC ION
Authors:Ohlenschlager, O, Gorlach, M.
Deposit date:2005-11-04
Release date:2006-10-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the partially folded high-risk human papilloma virus 45 oncoprotein E7.
Oncogene, 25, 2006
4BKU
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BU of 4bku by Molmil
Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]
Authors:Hirschbeck, M.W, Liu, N, Neckles, C, Tonge, P.J, Kisker, C.
Deposit date:2013-04-29
Release date:2014-04-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
3ZEP
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BU of 3zep by Molmil
Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor
Descriptor: 2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK3
Authors:Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M.
Deposit date:2012-12-06
Release date:2013-12-11
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of a Series of Novel 5H-Pyrrolo[2,3-B]Pyrazine-2-Phenyl Ethers, as Potent Jak3 Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013

223532

数据于2024-08-07公开中

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