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1LCO
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X-RAY STRUCTURE OF TWO COMPLEXES OF THE Y143F FLAVOCYTOCHROME B2 MUTANT CRYSTALLIZED IN THE PRESENCE OF LACTATE OR PHENYL-LACTATE
分子名称: 3-PHENYLPYRUVIC ACID, FLAVIN MONONUCLEOTIDE, L-LACTATE DEHYDROGENASE, ...
著者Tegoni, M, Cambillau, C.
登録日1995-03-30
公開日1995-09-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray structure of two complexes of the Y143F flavocytochrome b2 mutant crystallized in the presence of lactate or phenyl lactate.
Biochemistry, 34, 1995
4O9B
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BU of 4o9b by Molmil
The Structure of CC1-IH in human STIM1.
分子名称: CADMIUM ION, Stromal interaction molecule 1
著者Cui, B, Yang, X, Li, S, Shen, Y.
登録日2014-01-02
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献The inhibitory helix controls the intramolecular conformational switching of the C-terminus of STIM1.
Plos One, 8, 2013
5VUA
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Pim1 Kinase in complex with a benzofuranone inhibitor
分子名称: (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one, GLYCEROL, PHOSPHATE ION, ...
著者Parker, L.J.
登録日2017-05-18
公開日2017-12-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach
J Chem Inf Model, 57, 2017
1YVF
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Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145
分子名称: (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Pfefferkorn, J.A, Greene, M.L, Nugent, R.A, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.A, Kilkuskie, R.E, Kopta, L.A, Schwende, F.J.
登録日2005-02-15
公開日2005-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid.
Bioorg.Med.Chem.Lett., 15, 2005
6KU7
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structure of HRV-C 3C protein
分子名称: Genome polyprotein
著者Zhu, L, Yuan, S.
登録日2019-08-31
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the HRV-C 3C-Rupintrivir Complex Provides New Insights for Inhibitor Design.
Virol Sin, 35, 2020
2XWN
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BU of 2xwn by Molmil
Crystal structure of IspD from Mycobacterium tuberculosis in complex with CTP and Mg
分子名称: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Bjorkelid, C, Bergfors, T, Unge, T, Jones, T.A.
登録日2010-11-04
公開日2011-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and Functional Studies on Mycobacterial Ispd Enzymes
Acta Crystallogr.,Sect.D, 67, 2011
5W0F
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CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
著者Murray, J.M.
登録日2017-05-30
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5W0L
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CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
著者Murray, J.M.
登録日2017-05-31
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
2PA1
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BU of 2pa1 by Molmil
Structure of the PDZ domain of human PDLIM2 bound to a C-terminal extension from human beta-tropomyosin
分子名称: CHLORIDE ION, PDZ and LIM domain protein 2
著者Uppenberg, J, Shrestha, L, Elkins, J, Burgess-Brown, N, Salah, E, Bunkoczi, G, Papagrigoriou, E, Pike, A.C.W, Turnbull, A.P, Ugochukwu, E, Umeano, C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2007-03-27
公開日2007-05-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
1SB0
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BU of 1sb0 by Molmil
Solution structure of the KIX domain of CBP bound to the transactivation domain of c-Myb
分子名称: protein CBP, protein c-Myb
著者Zor, T, De Guzman, R.N, Dyson, H.J, Wright, P.E.
登録日2004-02-09
公開日2004-04-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of the KIX Domain of CBP Bound to the Transactivation Domain of c-Myb
J.Mol.Biol., 337, 2004
1LXF
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BU of 1lxf by Molmil
Structure of the Regulatory N-domain of Human Cardiac Troponin C in Complex with Human Cardiac Troponin-I(147-163) and Bepridil
分子名称: 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE, CALCIUM ION, TROPONIN C, ...
著者Wang, X, Li, M.X, Sykes, B.D.
登録日2002-06-05
公開日2002-12-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the regulatory N-domain of human cardiac troponin C in complex with human cardiac troponin I147-163 and bepridil.
J.Biol.Chem., 277, 2002
3H2L
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BU of 3h2l by Molmil
Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor
分子名称: N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase
著者Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R.
登録日2009-04-14
公開日2009-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
1QUV
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BU of 1quv by Molmil
CRYSTAL STRUCTURE OF THE RNA DIRECTED RNA POLYMERASE OF HEPATITIS C VIRUS
分子名称: PROTEIN (RNA-DIRECTED RNA POLYMERASE)
著者Ago, H, Miyano, M, Adachi, T, Habuka, N.
登録日1999-07-04
公開日1999-11-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the RNA-dependent RNA polymerase of hepatitis C virus.
Structure Fold.Des., 7, 1999
3GPW
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BU of 3gpw by Molmil
Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: irreversible inhibitor ligand
分子名称: (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Proteasome component C1, Proteasome component C11, ...
著者Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B.
登録日2009-03-23
公開日2009-09-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
1BEK
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BU of 1bek by Molmil
EFFECT OF UNNATURAL HEME SUBSTITUTION ON KINETICS OF ELECTRON TRANSFER IN CYTOCHROME C PEROXIDASE
分子名称: PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE
著者Miller, M.A, Kraut, J.
登録日1998-05-16
公開日1998-10-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Effect of Unnatural Heme Substitution on Kinetics of Electron Transfer in Cytochrome C Peroxidase
To be Published
4BV4
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BU of 4bv4 by Molmil
Structure and allostery in Toll-Spatzle recognition
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN SPAETZLE C-106, PROTEIN TOLL, ...
著者Lewis, M.F, Arnot, C.J, Beeston, H, McCoy, A, Ashcroft, A.E, Gay, N.J, Gangloff, M.
登録日2013-06-24
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Cytokine Spatzle Binds to the Drosophila Immunoreceptor Toll with a Neurotrophin-Like Specificity and Couples Receptor Activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
5RAP
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BU of 5rap by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM000707a
分子名称: (3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine, CHLORIDE ION, Lysine-specific demethylase 3B, ...
著者Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2020-03-16
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
4NLN
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Structure of human DNA polymerase beta complexed with nicked DNA containing a template 8BrG and incoming CTP
分子名称: 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.261 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
6LFZ
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Crystal structure of SbCGTb in complex with UDPG
分子名称: SbCGTb, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Gao, H.M, Yun, C.H.
登録日2019-12-04
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.866 Å)
主引用文献Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
1SLN
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BU of 1sln by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-702,842
分子名称: CALCIUM ION, N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE, STROMELYSIN-1, ...
著者Becker, J.W.
登録日1995-08-03
公開日1996-12-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Stromelysin-1: three-dimensional structure of the inhibited catalytic domain and of the C-truncated proenzyme.
Protein Sci., 4, 1995
4I99
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BU of 4i99 by Molmil
Crystal structure of the SmcHead bound to the C-winged helix domain of ScpA
分子名称: Chromosome partition protein Smc, PHOSPHATE ION, Putative uncharacterized protein
著者Shin, H.C, Soh, Y.M, Oh, B.H.
登録日2012-12-05
公開日2013-01-30
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An asymmetric SMC-kleisin bridge in prokaryotic condensin.
Nat.Struct.Mol.Biol., 20, 2013
3V3C
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BU of 3v3c by Molmil
Crystal Structure of Chloroplast ATP synthase c-ring from Pisum sativum
分子名称: ATP synthase subunit c, chloroplastic, DIGALACTOSYL DIACYL GLYCEROL (DGDG), ...
著者Saroussi, S, Nelson, N.
登録日2011-12-13
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.402 Å)
主引用文献Structure and flexibility of the C-ring in the electromotor of rotary F(o)F(1)-ATPase of pea chloroplasts.
Plos One, 7, 2012
4FW2
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Crystal structure of RSV three-domain integrase with disordered N-terminal domain
分子名称: Integrase
著者Shi, K, Aihara, H.
登録日2012-06-29
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A possible role for the asymmetric C-terminal domain dimer of Rous sarcoma virus integrase in viral DNA binding.
Plos One, 8, 2013
4G7X
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Crystal structure of a complex between the CTXphi pIII N-terminal domain and the Vibrio cholerae TolA C-terminal domain
分子名称: Putative uncharacterized protein, TolA protein
著者Kolappan, S, Ford, C.G, Craig, L.
登録日2012-07-20
公開日2012-08-29
最終更新日2012-11-07
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal Structures of a CTX{varphi} pIII Domain Unbound and in Complex with a Vibrio cholerae TolA Domain Reveal Novel Interaction Interfaces.
J.Biol.Chem., 287, 2012
4KFN
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Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Toste, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W.
登録日2013-04-27
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013

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