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6EH3
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BU of 6eh3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp190
分子名称: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, ~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-09-12
公開日2018-10-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp190
To be published
5AF7
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BU of 5af7 by Molmil
3-Sulfinopropionyl-coenzyme A (3SP-CoA) desulfinase from Advenella mimigardefordensis DPN7T: crystal structure and function of a desulfinase with an acyl-CoA dehydrogenase fold. Native crystal structure
分子名称: ACYL-COA DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
著者Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A.
登録日2015-01-20
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold.
Acta Crystallogr.,Sect.D, 71, 2015
3EHG
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BU of 3ehg by Molmil
Crystal structure of the ATP-binding domain of DesK in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, IODIDE ION, MAGNESIUM ION, ...
著者Trajtenberg, F, Buschiazzo, A.
登録日2008-09-12
公開日2009-09-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural and enzymatic insights into the ATP binding and autophosphorylation mechanism of a sensor histidine kinase
J.Biol.Chem., 285, 2010
5AEI
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BU of 5aei by Molmil
Designed Armadillo repeat protein YIIIM5AII in complex with peptide (KR)5
分子名称: ACETATE ION, CALCIUM ION, DESIGNED ARMADILLO REPEAT PROTEIN YIIIM5AII, ...
著者Hansen, S, Tremmel, D, Madhurantakam, C, Reichen, C, Mittl, P, Plueckthun, A.
登録日2015-08-31
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure and Energetic Contributions of a Designed Modular Peptide-Binding Protein with Picomolar Affinity.
J.Am.Chem.Soc., 138, 2016
5E0R
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BU of 5e0r by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with AYC
分子名称: 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
著者Dong, J, Caflisch, A.
登録日2015-09-29
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.352 Å)
主引用文献Crystal Structure of the first bromodomain of BRD4 in complex with AYC
To Be Published
4HTQ
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BU of 4htq by Molmil
Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 6.70 x 10e+11 X-ray photons
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Duke, N.E.C, Finfrock, Y.Z, Stern, E.Z, Alkire, R.W, Lazarski, K, Joachimiak, A.
登録日2012-11-01
公開日2013-05-15
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Mitigation of X-ray damage in macromolecular crystallography by submicrometre line focusing.
Acta Crystallogr.,Sect.D, 69, 2013
6EMM
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BU of 6emm by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with Salicylic acid
分子名称: 17-beta-hydroxysteroid dehydrogenase 14, 2-HYDROXYBENZOIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
登録日2017-10-02
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献X-ray Crystallographic Fragment screening and Hit Optimization
To Be Published
6EMY
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BU of 6emy by Molmil
Structure of the Tn1549 transposon Integrase (aa 82-397, Y379F) in complex with transposon right end DNA
分子名称: DNA (20-MER), DNA (26-MER), Int protein
著者Schulz, E.C, Rubio-Cosials, A, Barabas, O.
登録日2017-10-04
公開日2018-04-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Transposase-DNA Complex Structures Reveal Mechanisms for Conjugative Transposition of Antibiotic Resistance.
Cell, 173, 2018
6OCR
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BU of 6ocr by Molmil
Crystal structure of human KCTD16 T1 domain
分子名称: BTB/POZ domain-containing protein KCTD16
著者Zuo, H, Glaaser, I, Zhao, Y, Kurinov, I, Mosyak, L, Wang, H, Liu, J, Park, J, Frangaj, A, Sturchler, E, Zhou, M, McDonald, P, Geng, Y, Slesinger, P.A, Fan, Q.R.
登録日2019-03-25
公開日2019-04-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural basis for auxiliary subunit KCTD16 regulation of the GABABreceptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
6EN2
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BU of 6en2 by Molmil
Structure of the Tn1549 transposon Integrase (aa 82-397, R225K) in complex with a circular intermediate DNA (CI6b-DNA)
分子名称: DI(HYDROXYETHYL)ETHER, DNA (45-MER), Int protein
著者Rubio-Cosials, A, Barabas, O.
登録日2017-10-04
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Transposase-DNA Complex Structures Reveal Mechanisms for Conjugative Transposition of Antibiotic Resistance.
Cell, 173, 2018
2JS3
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BU of 2js3 by Molmil
NMR Structure of protein Q6N9A4_RHOPA. Northeast Structural Genomics Consortium target RpT8
分子名称: Uncharacterized protein
著者Singarapu, K.K, Wu, Y, Yee, A, Eletsky, A, Sukumaran, D, Garcia, M, Xiao, R, Bansal, S, Baran, M.C, Montelione, G.T, James, P.H, Arrowsmith, C.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2007-06-29
公開日2007-07-31
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献NMR structure of protein Q6N9A4_RHOPA.
To be Published
3QO1
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BU of 3qo1 by Molmil
Monoclinic form of IgG1 Fab fragment (apo form) sharing same Fv as IgA
分子名称: Fab fragment of IMMUNOGLOBULIN G1 HEAVY CHAIN, Fab fragment of IMMUNOGLOBULIN G1 LIGHT CHAIN, GLYCEROL
著者Trajtenberg, F, Correa, A, Buschiazzo, A.
登録日2011-02-09
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation
Acta Crystallogr.,Sect.D, 69, 2013
6OF1
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BU of 6of1 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with dirithromycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.80A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Khabibullina, N.F, Tereshchenkov, A.G, Komarova, E.S, Syroegin, E.A, Shiriaev, D.I, Paleskava, A, Kartsev, V.G, Bogdanov, A.A, Konevega, A.L, Dontsova, O.A, Sergiev, P.V, Osterman, I.A, Polikanov, Y.S.
登録日2019-03-28
公開日2019-04-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Dirithromycin Bound to the Bacterial Ribosome Suggests New Ways for Rational Improvement of Macrolides.
Antimicrob.Agents Chemother., 63, 2019
6OMA
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BU of 6oma by Molmil
non-decorated head of the phage T5
分子名称: Major capsid protein
著者Huet, A, Duda, R.L, Boulanger, P, Conway, J.F.
登録日2019-04-18
公開日2019-10-02
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.2 Å)
主引用文献Capsid expansion of bacteriophage T5 revealed by high resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 116, 2019
2K1R
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BU of 2k1r by Molmil
The solution NMR structure of the complex between MNK1 and HAH1 mediated by Cu(I)
分子名称: COPPER (II) ION, Copper transport protein ATOX1, Copper-transporting ATPase 1
著者Bertini, I, Banci, L.C, Felli, I.C, Pavelkova, A, Rosato, A, Structural Proteomics in Europe (SPINE)
登録日2008-03-14
公開日2009-03-31
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献The solution structure of the copper(I)-mediated complex between the first soluble domain of the Menkes protein and the metallochaperone HAH1.
To be Published
2YOC
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BU of 2yoc by Molmil
Crystal structure of PulA from Klebsiella oxytoca
分子名称: CALCIUM ION, PULLULANASE, SULFATE ION
著者Francetic, O, Mechaly, A.E, Tello-Manigne, D, Buschiazzo, A, Bernarde, C, Nadeau, N, Pugsley, A.P, Alzari, P.M.
登録日2012-10-23
公開日2013-11-06
最終更新日2016-01-20
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural Basis of Pullulanase Membrane Binding and Secretion Revealed by X-Ray Crystallography, Molecular Dynamics and Biochemical Analysis
Structure, 24, 2016
3Q5J
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BU of 3q5j by Molmil
Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin
分子名称: (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, Heat shock protein 83-1
著者Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-12-28
公開日2011-02-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin.
To be Published
5DR3
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BU of 5dr3 by Molmil
Endothiapepsin in complex with fragment 333
分子名称: 1,2-ETHANEDIOL, 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-09-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4HRN
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BU of 4hrn by Molmil
Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2
分子名称: Designed Ankyrin Repeat Protein H10-2-G, Receptor tyrosine-protein kinase erbB-2
著者Jost, C, Schilling, J, Plueckthun, A.
登録日2012-10-28
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2.
Structure, 21, 2013
3QRV
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BU of 3qrv by Molmil
Crystal structure of plasmepsin I (PMI) from Plasmodium falciparum
分子名称: Plasmepsin-1
著者Bhaumik, P, Gustchina, A, Wlodawer, A.
登録日2011-02-18
公開日2011-05-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of the free and inhibited forms of plasmepsin I (PMI) from Plasmodium falciparum.
J.Struct.Biol., 175, 2011
3QTO
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BU of 3qto by Molmil
Thrombin Inhibition by Pyridin Derivatives
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-02-23
公開日2012-02-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
1NDN
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BU of 1ndn by Molmil
MOLECULAR STRUCTURE OF NICKED DNA. MODEL T4
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*T)-3'), DNA (5'-D(*TP*TP*CP*GP*CP*G)-3')
著者Aymani, J, Coll, M, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J, Rich, A.
登録日1992-01-15
公開日1992-07-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular structure of nicked DNA: a substrate for DNA repair enzymes.
Proc.Natl.Acad.Sci.USA, 87, 1990
3QVC
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BU of 3qvc by Molmil
Crystal structure of histo-aspartic protease (HAP) zymogen from Plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, Histo-aspartic protease
著者Bhaumik, P, Gustchina, A, Wlodawer, A.
登録日2011-02-25
公開日2011-10-12
最終更新日2011-11-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum.
Biochemistry, 50, 2011
3QVQ
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BU of 3qvq by Molmil
The structure of an Oleispira antarctica phosphodiesterase OLEI02445 in complex with the product sn-glycerol-3-phosphate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Singer, A.U, Kagan, O, Evdokimova, E, Cuff, M.E, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-25
公開日2011-04-13
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献The structure of an Oleispira antarctica phosphodiesterase OLEI02445 in complex with the product sn-glycerol-3-phosphate
To be Published
4HRL
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BU of 4hrl by Molmil
Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2
分子名称: Designed Ankyrin Repeat Protein 9_29, Receptor tyrosine-protein kinase erbB-2
著者Jost, C, Schilling, J, Plueckthun, A.
登録日2012-10-28
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2.
Structure, 21, 2013

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