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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
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, ~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-09-12
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: ACYL-COA DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A.
Deposit date:2015-01-20
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, IODIDE ION, MAGNESIUM ION, ...
Authors:Trajtenberg, F, Buschiazzo, A.
Deposit date:2008-09-12
Release date:2009-09-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: ACETATE ION, CALCIUM ION, DESIGNED ARMADILLO REPEAT PROTEIN YIIIM5AII, ...
Authors:Hansen, S, Tremmel, D, Madhurantakam, C, Reichen, C, Mittl, P, Plueckthun, A.
Deposit date:2015-08-31
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite: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
Descriptor: 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
Authors:Dong, J, Caflisch, A.
Deposit date:2015-09-29
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.352 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Duke, N.E.C, Finfrock, Y.Z, Stern, E.Z, Alkire, R.W, Lazarski, K, Joachimiak, A.
Deposit date:2012-11-01
Release date:2013-05-15
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.399 Å)
Cite: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
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, 2-HYDROXYBENZOIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2017-10-02
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.47 Å)
Cite: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
Descriptor: DNA (20-MER), DNA (26-MER), Int protein
Authors:Schulz, E.C, Rubio-Cosials, A, Barabas, O.
Deposit date:2017-10-04
Release date:2018-04-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: BTB/POZ domain-containing protein KCTD16
Authors: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.
Deposit date:2019-03-25
Release date:2019-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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)
Descriptor: DI(HYDROXYETHYL)ETHER, DNA (45-MER), Int protein
Authors:Rubio-Cosials, A, Barabas, O.
Deposit date:2017-10-04
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.67 Å)
Cite: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
Descriptor: Uncharacterized protein
Authors: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)
Deposit date:2007-06-29
Release date:2007-07-31
Last modified:2024-05-08
Method:SOLUTION NMR
Cite: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
Descriptor: Fab fragment of IMMUNOGLOBULIN G1 HEAVY CHAIN, Fab fragment of IMMUNOGLOBULIN G1 LIGHT CHAIN, GLYCEROL
Authors:Trajtenberg, F, Correa, A, Buschiazzo, A.
Deposit date:2011-02-09
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors: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.
Deposit date:2019-03-28
Release date:2019-04-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Major capsid protein
Authors:Huet, A, Duda, R.L, Boulanger, P, Conway, J.F.
Deposit date:2019-04-18
Release date:2019-10-02
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite: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)
Descriptor: COPPER (II) ION, Copper transport protein ATOX1, Copper-transporting ATPase 1
Authors:Bertini, I, Banci, L.C, Felli, I.C, Pavelkova, A, Rosato, A, Structural Proteomics in Europe (SPINE)
Deposit date:2008-03-14
Release date:2009-03-31
Last modified:2022-03-16
Method:SOLUTION NMR
Cite: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
Descriptor: CALCIUM ION, PULLULANASE, SULFATE ION
Authors:Francetic, O, Mechaly, A.E, Tello-Manigne, D, Buschiazzo, A, Bernarde, C, Nadeau, N, Pugsley, A.P, Alzari, P.M.
Deposit date:2012-10-23
Release date:2013-11-06
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite: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
Descriptor: (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
Authors: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)
Deposit date:2010-12-28
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.24 Å)
Cite: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
Descriptor: Designed Ankyrin Repeat Protein H10-2-G, Receptor tyrosine-protein kinase erbB-2
Authors:Jost, C, Schilling, J, Plueckthun, A.
Deposit date:2012-10-28
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: Plasmepsin-1
Authors:Bhaumik, P, Gustchina, A, Wlodawer, A.
Deposit date:2011-02-18
Release date:2011-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-02-23
Release date:2012-02-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite: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
Descriptor: 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')
Authors:Aymani, J, Coll, M, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J, Rich, A.
Deposit date:1992-01-15
Release date:1992-07-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Histo-aspartic protease
Authors:Bhaumik, P, Gustchina, A, Wlodawer, A.
Deposit date:2011-02-25
Release date:2011-10-12
Last modified:2011-11-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors: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)
Deposit date:2011-02-25
Release date:2011-04-13
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.602 Å)
Cite: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
Descriptor: Designed Ankyrin Repeat Protein 9_29, Receptor tyrosine-protein kinase erbB-2
Authors:Jost, C, Schilling, J, Plueckthun, A.
Deposit date:2012-10-28
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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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數據於2024-07-17公開中

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