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4Y43
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BU of 4y43 by Molmil
Endothiapepsin in complex with fragment 42
Descriptor: (1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine, 1,2-ETHANEDIOL, Endothiapepsin, ...
Authors:Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y4R
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BU of 4y4r by Molmil
Crystal structure of ribosomal oxygenase NO66 dimer mutant
Descriptor: ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, NICKEL (II) ION
Authors:Wang, C, Hang, T, Zang, J.
Deposit date:2015-02-11
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
4Y3N
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BU of 4y3n by Molmil
Endothiapepsin in complex with fragment 273
Descriptor: 2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide, ACETATE ION, Endothiapepsin, ...
Authors:Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3Z
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BU of 4y3z by Molmil
Endothiapepsin in complex with fragment 41
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ...
Authors:Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
7B7D
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BU of 7b7d by Molmil
Yeast 80S ribosome bound to eEF3 and A/A- and P/P-tRNAs
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Ranjan, N, Pochopien, A.A, Wu, C.C, Beckert, B, Blanchet, S, Green, R, Rodnina, M.V, Wilson, D.N.
Deposit date:2020-12-10
Release date:2021-03-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:eEF3 promotes late stages of tRNA translocation including E-tRNA release from the ribosome
To Be Published
4Y4W
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BU of 4y4w by Molmil
Endothiapepsin in complex with fragment 125
Descriptor: 1,2-ETHANEDIOL, 4-methylpiperidine-1-carboximidamide, ACETATE ION, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y56
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BU of 4y56 by Molmil
Endothiapepsin in complex with fragment 58
Descriptor: 1,2-ETHANEDIOL, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y7C
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BU of 4y7c by Molmil
rat CYPOR mutant - G141del/E142N
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Xia, C, Kim, J.J.P.
Deposit date:2015-02-13
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone.
J.Biol.Chem., 291, 2016
4Y5J
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BU of 4y5j by Molmil
Drosophila melanogaster Mini spindles TOG3
Descriptor: MINI SPINDLES TOG3
Authors:Slep, K.C, Howard, A.E.
Deposit date:2015-02-11
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Drosophila melanogaster Mini Spindles TOG3 Utilizes Unique Structural Elements to Promote Domain Stability and Maintain a TOG1- and TOG2-like Tubulin-binding Surface.
J.Biol.Chem., 290, 2015
4Y7O
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BU of 4y7o by Molmil
T6SS protein TssM C-terminal domain (869-1107) from EAEC
Descriptor: Type VI secretion protein IcmF, Type VI secretion system protein VasD, ZINC ION
Authors:Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C.
Deposit date:2015-02-15
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
4Y90
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BU of 4y90 by Molmil
Crystal structure of Triosephosphate Isomerase from Deinococcus radiodurans
Descriptor: CALCIUM ION, GLYCEROL, SODIUM ION, ...
Authors:Romero-Romero, S, Rodriguez-Romero, A, Fernadez-Velasco, D.A.
Deposit date:2015-02-16
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.
Phys Chem Chem Phys, 17, 2015
4YC3
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BU of 4yc3 by Molmil
CDK1/CyclinB1/CKS2 Apo
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ...
Authors:Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
Deposit date:2015-02-19
Release date:2016-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
6YCG
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BU of 6ycg by Molmil
Structure the bromelain protease from Ananas comosus in complex with the TLCK inhibitor
Descriptor: CITRIC ACID, FBSB, ISOPROPYL ALCOHOL, ...
Authors:Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
Deposit date:2020-03-18
Release date:2020-11-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
4YAF
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BU of 4yaf by Molmil
rat CYPOR with 2'-AMP
Descriptor: ADENOSINE-2'-MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Xia, C, Kim, J.J.P.
Deposit date:2015-02-17
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone.
J.Biol.Chem., 291, 2016
4YF6
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BU of 4yf6 by Molmil
Crystal structure of oxidised Rv1284
Descriptor: Beta-carbonic anhydrase 1, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Hofmann, A.
Deposit date:2015-02-25
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Chemical probing suggests redox-regulation of the carbonic anhydrase activity of mycobacterial Rv1284.
Febs J., 282, 2015
4YFS
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BU of 4yfs by Molmil
Structure of the synthetic Duffy Binding Protein (DBP) antigen DEKnull relevant for malaria vaccine design
Descriptor: Duffy receptor
Authors:Chen, E, Tolia, N.H.
Deposit date:2015-02-25
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of the Synthetic Duffy Binding Protein (DBP) Antigen DEKnull Relevant for Plasmodium vivax Malaria Vaccine Design.
Plos Negl Trop Dis, 9, 2015
4YFW
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BU of 4yfw by Molmil
Structural basis of glycan recognition in neonate-specific rotaviruses
Descriptor: Outer capsid protein VP4
Authors:Hu, L, Prasad, B.V.V.
Deposit date:2015-02-25
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis of glycan specificity in neonate-specific bovine-human reassortant rotavirus.
Nat Commun, 6, 2015
4YGD
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BU of 4ygd by Molmil
Crystal structure of ERGIC-53/MCFD2, monoclinic calcium-bound form 2
Descriptor: CALCIUM ION, CHLORIDE ION, Multiple coagulation factor deficiency protein 2, ...
Authors:Satoh, T, Nishio, M, Yagi-Utsumi, M, Suzuki, K, Anzai, T, Mizushima, T, Kamiya, Y, Kato, K.
Deposit date:2015-02-26
Release date:2016-04-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystallographic snapshots of the EF-hand protein MCFD2 complexed with the intracellular lectin ERGIC-53 involved in glycoprotein transport.
Acta Crystallogr.,Sect.F, 76, 2020
4YGS
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BU of 4ygs by Molmil
Crystal structure of HAD phosphatase from Thermococcus onnurineus
Descriptor: CITRIC ACID, Hydrolase, MAGNESIUM ION
Authors:Ngo, T.D, Le, B.V, Subramani, V.K, Nguyen, C.M.T, Lee, H.S, Cho, Y, Kim, K.K, Hwang, H.Y.
Deposit date:2015-02-26
Release date:2015-04-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the substrate selectivity of a HAD phosphatase from Thermococcus onnurineus NA1
Biochem.Biophys.Res.Commun., 461, 2015
4YB5
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BU of 4yb5 by Molmil
Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni in complex with the allosteric inhibitor histidine
Descriptor: ATP phosphoribosyltransferase, DI(HYDROXYETHYL)ETHER, HISTIDINE, ...
Authors:Mittelstaedt, G, Moggre, G.-J, Parker, E.J.
Deposit date:2015-02-18
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Campylobacter jejuni adenosine triphosphate phosphoribosyltransferase is an active hexamer that is allosterically controlled by the twisting of a regulatory tail.
Protein Sci., 25, 2016
8A21
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BU of 8a21 by Molmil
Crystal structure of Phosphoserine phosphatase SerB from Mycobacterium avium in complex with phenylimidazole
Descriptor: 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, GLYCEROL, ...
Authors:Haufroid, M, Wouters, J.
Deposit date:2022-06-02
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Targeting the phosphoserine phosphatase MtSerB2 for tuberculosis drug discovery, an hybrid knowledge based /fragment based approach.
Eur.J.Med.Chem., 245, 2022
4YBO
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BU of 4ybo by Molmil
Structure of Citrate Synthase from the Thermoacidophilic Euryarchaeon Thermolasma acidophilum
Descriptor: BICARBONATE ION, Citrate synthase
Authors:Murphy, J.R, Donini, S, Kappock, T.J.
Deposit date:2015-02-19
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.179 Å)
Cite:An active site-tail interaction in the structure of hexahistidine-tagged Thermoplasma acidophilum citrate synthase.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4YHU
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BU of 4yhu by Molmil
Yeast Prp3 C-terminal fragment 296-469
Descriptor: U4/U6 small nuclear ribonucleoprotein PRP3, YTTRIUM (III) ION
Authors:Liu, S, Wahl, M.C.
Deposit date:2015-02-27
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A composite double-/single-stranded RNA-binding region in protein Prp3 supports tri-snRNP stability and splicing.
Elife, 4, 2015
4YDZ
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BU of 4ydz by Molmil
Stress-induced protein 1 from Caenorhabditis elegans
Descriptor: Stress-induced protein 1
Authors:Fleckenstein, T, Kastenmueller, A, Stein, M.L, Peters, C, Daake, M, Krause, M, Weinfurtner, D, Haslbeck, M, Weinkauf, S, Groll, M, Buchner, J.
Deposit date:2015-02-23
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The Chaperone Activity of the Developmental Small Heat Shock Protein Sip1 Is Regulated by pH-Dependent Conformational Changes.
Mol.Cell, 58, 2015
7ARM
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BU of 7arm by Molmil
LolCDE in complex with lipoprotein and LolA
Descriptor: (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ...
Authors:Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Shen, C.R, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Wei, X.W, Dong, C.J, Zhang, X, Dong, H.H.
Deposit date:2020-10-25
Release date:2021-04-07
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021

226414

数据于2024-10-23公开中

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