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3ID7
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BU of 3id7 by Molmil
Crystal structure of renal dipeptidase from Streptomyces coelicolor A3(2)
分子名称: CHLORIDE ION, Dipeptidase, ZINC ION
著者Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C.
登録日2009-07-20
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase .
Biochemistry, 49, 2010
3IVH
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BU of 3ivh by Molmil
Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents
分子名称: Beta-secretase 1, N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
著者Pan, H.
登録日2009-09-01
公開日2010-01-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.
Bioorg.Med.Chem.Lett., 19, 2009
3IK3
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BU of 3ik3 by Molmil
AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase ABL1
著者Zhou, T.
登録日2009-08-05
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Cancer Cell, 16, 2009
1L06
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BU of 1l06 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Wilson, K, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L15
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BU of 1l15 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L12
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BU of 1l12 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L03
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BU of 1l03 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, T4 LYSOZYME
著者Dao-Pin, S, Wilson, K, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L11
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BU of 1l11 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, T4 LYSOZYME
著者Dao-Pin, S, Wilson, K, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L14
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BU of 1l14 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L05
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BU of 1l05 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
3IPY
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BU of 3ipy by Molmil
X-Ray structure of Human Deoxycytidine Kinase in complex with an inhibitor
分子名称: 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine, D-MALATE, Deoxycytidine kinase
著者Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G.
登録日2009-08-18
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3ITW
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BU of 3itw by Molmil
Crystal structure of TioX from Micromonospora sp. ML1
分子名称: Protein tioX
著者Biswas, T, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2009-08-28
公開日2010-02-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A New Scaffold of an Old Protein Fold Ensures Binding to the Bisintercalator Thiocoraline.
J.Mol.Biol., 397, 2010
3IUT
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BU of 3iut by Molmil
The Crystal Structure of Cruzain in Complex with a Tetrafluorophenoxymethyl Ketone Inhibitor
分子名称: (3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one, 1,2-ETHANEDIOL, Cruzipain
著者Kerr, I.D, Debnath, M, Brinen, L.S.
登録日2009-08-31
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for chagas disease chemotherapy.
J.Med.Chem., 53, 2010
3IVI
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BU of 3ivi by Molmil
Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents
分子名称: Beta-secretase 1, GLYCEROL, N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide, ...
著者Pan, H.
登録日2009-09-01
公開日2010-01-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.
Bioorg.Med.Chem.Lett., 19, 2009
3IA6
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BU of 3ia6 by Molmil
X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist
分子名称: (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Ohren, J.F.
登録日2009-07-13
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Synthesis and evaluation of novel alpha-heteroaryl-phenylpropanoic acid derivatives as PPARalpha/gamma dual agonists.
Bioorg.Med.Chem., 17, 2009
3K97
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BU of 3k97 by Molmil
HSP90 N-terminal domain in complex with 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
分子名称: 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha
著者Gajiwala, K.S.
登録日2009-10-15
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
3KC3
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BU of 3kc3 by Molmil
MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
分子名称: MAP kinase-activated protein kinase 2, N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2009-10-20
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
1L13
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BU of 1l13 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
3J1O
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BU of 3j1o by Molmil
Cryo-EM map of a yeast minimal preinitiation complex interacting with the Mediator Head module
分子名称: Mediator of RNA polymerase II transcription subunit 11, Mediator of RNA polymerase II transcription subunit 17, Mediator of RNA polymerase II transcription subunit 18, ...
著者Asturias, F.J, Imasaki, T.
登録日2012-03-29
公開日2013-03-06
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (16 Å)
主引用文献Interaction of the mediator head module with RNA polymerase II.
Structure, 20, 2012
1L07
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BU of 1l07 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Faber, R, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L08
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BU of 1l08 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L04
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BU of 1l04 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
3KEC
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BU of 3kec by Molmil
Crystal Structure of Human MMP-13 complexed with a phenyl-2H-tetrazole compound
分子名称: 4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
著者Shieh, H.-S, Pavlovsky, A.G, Collins, B, Schnute, M.E.
登録日2009-10-25
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2010
3K98
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BU of 3k98 by Molmil
HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide
分子名称: (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION
著者Gajiwala, K.S, Davies II, J.F.
登録日2009-10-15
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
3KHJ
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BU of 3khj by Molmil
C. parvum inosine monophosphate dehydrogenase bound by inhibitor C64
分子名称: ACETATE ION, INOSINIC ACID, Inosine-5-monophosphate dehydrogenase, ...
著者MacPherson, I.S, Hedstrom, L.K.
登録日2009-10-30
公開日2010-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structural basis of Cryptosporidium -specific IMP dehydrogenase inhibitor selectivity.
J.Am.Chem.Soc., 132, 2010

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