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2ZPP
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BU of 2zpp by Molmil
Neutron crystal structure of cubic insulin at pD9
Descriptor: Insulin A chain, Insulin B chain
Authors:Ishikawa, T, Tanaka, I, Niimura, N.
Deposit date:2008-07-26
Release date:2008-10-28
Last modified:2023-11-01
Method:NEUTRON DIFFRACTION (2.5 Å)
Cite:An abnormal pK(a) value of internal histidine of the insulin molecule revealed by neutron crystallographic analysis
Biochem.Biophys.Res.Commun., 376, 2008
2EFA
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BU of 2efa by Molmil
Neutron crystal structure of cubic insulin at pD6.6
Descriptor: Insulin
Authors:Ishikawa, T, Tanaka, I, Niimura, N.
Deposit date:2007-02-22
Release date:2008-01-22
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (2.7 Å)
Cite:A neutron crystallographic analysis of a cubic porcine insulin at pD 6.6
Chem.Phys., 345, 2008
8BWY
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BU of 8bwy by Molmil
In situ outer dynein arm from Chlamydomonas reinhardtii in a pre-power stroke state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Calmodulin, ...
Authors:Zimmermann, N.E.L, Noga, A, Obbineni, J.M, Ishikawa, T.
Deposit date:2022-12-07
Release date:2023-05-10
Last modified:2023-06-28
Method:ELECTRON MICROSCOPY (38 Å)
Cite:ATP-induced conformational change of axonemal outer dynein arms revealed by cryo-electron tomography.
Embo J., 42, 2023
8BX8
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BU of 8bx8 by Molmil
In situ outer dynein arm from Chlamydomonas reinhardtii in the post-power stroke state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
Authors:Zimmermann, N.E.L, Noga, A, Obbineni, J.M, Ishikawa, T.
Deposit date:2022-12-08
Release date:2023-05-10
Last modified:2023-06-28
Method:ELECTRON MICROSCOPY (30.299999 Å)
Cite:ATP-induced conformational change of axonemal outer dynein arms revealed by cryo-electron tomography.
Embo J., 42, 2023
8I06
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BU of 8i06 by Molmil
Crystal structure of serine acetyltransferase from Salmonella typhimurium complexed with CoA
Descriptor: COENZYME A, CYSTEINE, Serine acetyltransferase
Authors:Toyomoto, T, Ono, K, Shiba, T, Momitani, K, Zhang, T, Tsutsuki, H, Ishikawa, T, Hoso, K, Hamada, K, Rahman, A, Zhong, H, Akaike, T, Yamamoto, K, Matsuoka, M, Hanaoka, K, Niidome, T, Sawa, T.
Deposit date:2023-01-10
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Alkyl gallates inhibit serine O -acetyltransferase in bacteria and enhance susceptibility of drug-resistant Gram-negative bacteria to antibiotics.
Front Microbiol, 14, 2023
8I09
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BU of 8i09 by Molmil
Crystal structure of serine acetyltransferase from Salmonella typhimurium complexed with butyl gallate
Descriptor: CYSTEINE, PHOSPHATE ION, Serine acetyltransferase, ...
Authors:Toyomoto, T, Ono, K, Shiba, T, Momitani, K, Zhang, T, Tsutsuki, H, Ishikawa, T, Hoso, K, Hamada, K, Rahman, A, Zhong, H, Akaike, T, Yamamoto, K, Matsuoka, M, Hanaoka, K, Niidome, T, Sawa, T.
Deposit date:2023-01-10
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Alkyl gallates inhibit serine O -acetyltransferase in bacteria and enhance susceptibility of drug-resistant Gram-negative bacteria to antibiotics.
Front Microbiol, 14, 2023
8I04
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BU of 8i04 by Molmil
Crystal structure of serine acetyltransferase from Salmonella typhimurium complexed with serine
Descriptor: PHOSPHATE ION, SERINE, Serine acetyltransferase
Authors:Toyomoto, T, Ono, K, Shiba, T, Momitani, K, Zhang, T, Tsutsuki, H, Ishikawa, T, Hoso, K, Hamada, K, Rahman, A, Zhong, H, Akaike, T, Yamamoto, K, Matsuoka, M, Hanaoka, K, Niidome, T, Sawa, T.
Deposit date:2023-01-10
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Alkyl gallates inhibit serine O -acetyltransferase in bacteria and enhance susceptibility of drug-resistant Gram-negative bacteria to antibiotics.
Front Microbiol, 14, 2023
2IY3
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BU of 2iy3 by Molmil
Structure of the E. Coli Signal Regognition Particle
Descriptor: 4.5S RNA, SIGNAL SEQUENCE, Signal recognition particle protein,Signal recognition particle 54 kDa protein
Authors:Schaffitzel, C, Oswald, M, Berger, I, Ishikawa, T, Abrahams, J.P, Koerten, H.K, Koning, R.I, Ban, N.
Deposit date:2006-07-12
Release date:2006-11-02
Last modified:2017-08-23
Method:ELECTRON MICROSCOPY (16 Å)
Cite:Structure of the E. Coli Signal Recognition Particle Bound to a Translating Ribosome
Nature, 444, 2006
3JAO
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BU of 3jao by Molmil
Ciliary microtubule doublet
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Maheshwari, A, Obbineni, J.M, Bui, K.H, Shibata, K, Toyoshima, Y.Y, Ishikawa, T.
Deposit date:2015-06-18
Release date:2015-08-05
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (23 Å)
Cite:alpha- and beta-Tubulin Lattice of the Axonemal Microtubule Doublet and Binding Proteins Revealed by Single Particle Cryo-Electron Microscopy and Tomography.
Structure, 23, 2015
3AJ9
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BU of 3aj9 by Molmil
X-ray analysis of Crystal of Proteinase K Obtained from D2O Solution Using PEG 8000
Descriptor: CALCIUM ION, GLYCEROL, Proteinase K
Authors:Chatake, T, Ishikawa, T, Morimoto, Y.
Deposit date:2010-05-27
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-resolution X-ray study of the effects of deuteration on crystal growth and the crystal structure of proteinase K
Acta Crystallogr.,Sect.F, 67, 2011
3AJ8
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BU of 3aj8 by Molmil
X-ray analysis of Crystal of Proteinase K Obtained from H2O Solution Using PEG 8000
Descriptor: CALCIUM ION, GLYCEROL, Proteinase K
Authors:Chatake, T, Ishikawa, T, Morimoto, Y.
Deposit date:2010-05-27
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-resolution X-ray study of the effects of deuteration on crystal growth and the crystal structure of proteinase K
Acta Crystallogr.,Sect.F, 67, 2011
3WG7
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BU of 3wg7 by Molmil
A 1.9 angstrom radiation damage free X-ray structure of large (420KDa) protein by femtosecond crystallography
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Hirata, K, Shinzawa-Itoh, K, Yano, N, Takemura, S, Kato, K, Hatanaka, M, Muramoto, K, Kawahara, T, Tsukihara, T, Yamashita, E, Tono, K, Ueno, G, Hikima, T, Murakami, H, Inubushi, Y, Yabashi, M, Ishikawa, T, Yamamoto, M, Ogura, T, Sugimoto, H, Shen, J.R, Yoshikawa, S, Ago, H.
Deposit date:2013-07-29
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL.
Nat.Methods, 11, 2014
3RCD
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BU of 3rcd by Molmil
HER2 Kinase Domain Complexed with TAK-285
Descriptor: N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, Receptor tyrosine-protein kinase erbB-2
Authors:Aertgeerts, K, Skene, R, Sogabe, S.
Deposit date:2011-03-30
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold.
J.Med.Chem., 54, 2011
5ZYB
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BU of 5zyb by Molmil
Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, ACETATE ION, Beta-lactamase, ...
Authors:Shimizu-Ibuka, A, Furukawa, N.
Deposit date:2018-05-23
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030
To Be Published
1BK1
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BU of 1bk1 by Molmil
ENDO-1,4-BETA-XYLANASE C
Descriptor: ENDO-1,4-B-XYLANASE C
Authors:Fushinobu, S, Ito, K, Konno, M, Wakagi, T, Matsuzawa, H.
Deposit date:1998-07-14
Release date:1999-01-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and mutational analyses of an extremely acidophilic and acid-stable xylanase: biased distribution of acidic residues and importance of Asp37 for catalysis at low pH.
Protein Eng., 11, 1998
4DBN
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BU of 4dbn by Molmil
Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative
Descriptor: 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Serine/threonine-protein kinase B-raf
Authors:Yano, J.K, Aertgeerts, K.
Deposit date:2012-01-16
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds.
J.Med.Chem., 55, 2012
4ZFZ
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BU of 4zfz by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with myristoylated 5-mer lipopeptide derived from SIV Nef protein
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-mer lipopeptide from Protein Nef, ...
Authors:Morita, D, Sugita, M.
Deposit date:2015-04-22
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the N-myristoylated lipopeptide-bound MHC class I complex
Nat Commun, 7, 2016
5GTH
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BU of 5gth by Molmil
Native XFEL structure of photosystem II (dark dataset)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2016-08-20
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
5GTI
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BU of 5gti by Molmil
Native XFEL structure of photosystem II (two flash dataset)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2016-08-20
Release date:2017-03-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
4FC0
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BU of 4fc0 by Molmil
Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor
Descriptor: 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide, Serine/threonine-protein kinase B-raf
Authors:Yano, J.K, Aertgeerts, K.
Deposit date:2012-05-23
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives.
Bioorg.Med.Chem., 20, 2012
4KSP
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BU of 4ksp by Molmil
Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632
Descriptor: N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf
Authors:Yano, J.K, Masanori, O.
Deposit date:2013-05-17
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013
4KSQ
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BU of 4ksq by Molmil
Crystal Structure of Human B-raf bound to a DFG-out Inhibitor 5B
Descriptor: N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf
Authors:Yano, J.K, Masanori, O.
Deposit date:2013-05-17
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013
5U7Q
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BU of 5u7q by Molmil
Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
Descriptor: Rho-associated protein kinase 2
Authors:Hoffman, I.D.
Deposit date:2016-12-12
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones.
Bioorg. Med. Chem., 25, 2017
5U7R
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BU of 5u7r by Molmil
Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
Descriptor: (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one, Rho-associated protein kinase 2
Authors:Hoffman, I.D, Skene, R.J.
Deposit date:2016-12-12
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones.
Bioorg. Med. Chem., 25, 2017
3POZ
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BU of 3poz by Molmil
EGFR Kinase domain complexed with tak-285
Descriptor: Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, SULFATE ION
Authors:Aertgeerts, K, Skene, R, Sogabe, S.
Deposit date:2010-11-23
Release date:2011-03-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein.
J.Biol.Chem., 286, 2011

 

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