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5MGY
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BU of 5mgy by Molmil
Crystal structure of Pseudomonas stutzeri flavinyl transferase ApbE, apo form
Descriptor: FAD:protein FMN transferase, MAGNESIUM ION
Authors:Zhang, L, Trncik, C, Andrade, S.L.A, Einsle, O.
Deposit date:2016-11-22
Release date:2016-12-14
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The flavinyl transferase ApbE of Pseudomonas stutzeri matures the NosR protein required for nitrous oxide reduction.
Biochim. Biophys. Acta, 1858, 2016
5WWX
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BU of 5wwx by Molmil
Crystal structure of the KH2 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C complex with RNA
Descriptor: NICKEL (II) ION, RNA (5'-R(P*AP*GP*AP*GP*U)-3'), RNA-binding E3 ubiquitin-protein ligase MEX3C
Authors:Yang, L, Wang, C, Li, F, Gong, Q.
Deposit date:2017-01-05
Release date:2017-08-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
5CO0
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BU of 5co0 by Molmil
Crystal Structure of the MTERF1 Y288A substitution bound to the termination sequence.
Descriptor: DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), POTASSIUM ION, ...
Authors:Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M.
Deposit date:2015-07-18
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
5CA8
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BU of 5ca8 by Molmil
Structures of the yeast dynamin-like GTPase Sey1p in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein SEY1
Authors:Yan, L.
Deposit date:2015-06-29
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015
1MNB
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BU of 1mnb by Molmil
BIV TAT PEPTIDE (RESIDUES 68-81), NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: BIV TAR RNA, BIV TAT PEPTIDE
Authors:Puglisi, J.D, Chen, L, Blanchard, S, Frankel, A.D.
Deposit date:1996-07-25
Release date:1997-01-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a bovine immunodeficiency virus Tat-TAR peptide-RNA complex.
Science, 270, 1995
5WTG
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BU of 5wtg by Molmil
Crystal structure of the Fab fragment of anti-HAV antibody R10
Descriptor: FAB Heavy chain, FAB Light chain
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.907 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1XUE
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BU of 1xue by Molmil
STRUCTURE OF GTGGAATGCAATGGAAC HAIRPIN, NMR, 10 STRUCTURES
Descriptor: DNA (5'-D(*GP*TP*GP*GP*AP*AP*TP*GP*CP*AP*AP*TP*GP*GP*AP*AP*C)-3')
Authors:Zhu, L, Chou, S.-H, Reid, B.R.
Deposit date:1996-08-26
Release date:1997-03-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A single G-to-C change causes human centromere TGGAA repeats to fold back into hairpins.
Proc.Natl.Acad.Sci.USA, 93, 1996
5CCA
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BU of 5cca by Molmil
Crystal structure of Mtb toxin
Descriptor: Endoribonuclease MazF3
Authors:Cascio, D, Arbing, M, de Serrano, V, Eisenberg, D, Miallau, L, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-07-01
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of Mtb toxin
To Be Published
5CCQ
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BU of 5ccq by Molmil
Human Cyclophilin D Complexed with Inhibitor
Descriptor: FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
Deposit date:2015-07-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor
To Be Published
1XSM
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BU of 1xsm by Molmil
PROTEIN R2 OF RIBONUCLEOTIDE REDUCTASE FROM MOUSE
Descriptor: FE (III) ION, RIBONUCLEOTIDE REDUCTASE R2
Authors:Kauppi, B, Nielsen, B.N, Ramaswamy, S, Kjoller-Larsen, I, Thelander, M, Thelander, L, Eklund, H.
Deposit date:1996-07-03
Release date:1997-01-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The three-dimensional structure of mammalian ribonucleotide reductase protein R2 reveals a more-accessible iron-radical site than Escherichia coli R2.
J.Mol.Biol., 262, 1996
5COH
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BU of 5coh by Molmil
Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in presence of beta-mercaptoethanol
Descriptor: FrnE protein
Authors:Bihani, S.C, Panicker, L, Kumar, V.
Deposit date:2015-07-20
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:drFrnE Represents a Hitherto Unknown Class of Eubacterial Cytoplasmic Disulfide Oxido-Reductases.
Antioxid. Redox Signal., 28, 2018
5WXO
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BU of 5wxo by Molmil
Crystal structure of uPA in complex with upain-2-2-W3A
Descriptor: Urokinase-type plasminogen activator chain B, upain-2-2-W3A peptide
Authors:Jiang, L, Huang, M.
Deposit date:2017-01-08
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Cleavage of peptidic inhibitors by target protease is caused by peptide conformational transition.
Biochim. Biophys. Acta, 1862, 2018
5WXS
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BU of 5wxs by Molmil
Crystal structure of uPA in complex with S2444
Descriptor: (2R)-N-[2-[[(2S)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide, Urokinase-type plasminogen activator chain B
Authors:Jiang, L, Huang, M.
Deposit date:2017-01-08
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of uPA in complex with S2444
To Be Published
5CE1
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BU of 5ce1 by Molmil
Crystal Structure of Serine protease Hepsin in complex with Inhibitor
Descriptor: 2-[6-(1-hydroxycyclohexyl)pyridin-2-yl]-1H-indole-5-carboximidamide, Serine protease hepsin
Authors:Rao, K.N, Anita, R.C, Sangeetha, R, Anirudha, L, Subramnay, H.
Deposit date:2015-07-06
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Serine protease Hepsin in complex with Inhibitor
To Be Published
5WZE
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BU of 5wze by Molmil
The structure of Pseudomonas aeruginosa aminopeptidase PepP
Descriptor: 1,2-ETHANEDIOL, ALANINE, Aminopeptidase P, ...
Authors:Bao, R, Peng, C.T, Liu, L, He, L.H, Li, C.C, Li, T, Shen, Y.L, Zhu, Y.B, Song, Y.J.
Deposit date:2017-01-17
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Structure-Function Relationship of Aminopeptidase P from Pseudomonas aeruginosa.
Front Microbiol, 8, 2017
5CET
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BU of 5cet by Molmil
Crystal structure of Rv2837c
Descriptor: Bifunctional oligoribonuclease and PAP phosphatase NrnA, MANGANESE (II) ION
Authors:Wang, F, He, Q, Zhu, D, Liu, S, Gu, L.
Deposit date:2015-07-07
Release date:2015-12-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Insight into the Mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP Phosphodiesterase
J.Biol.Chem., 291, 2016
1Y17
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BU of 1y17 by Molmil
crystal structure of Aa-X-bp-II, a snake venom protein with the activity of binding to coagulation factor X from Agkistrodon acutus
Descriptor: CALCIUM ION, anticoagulant protein A, anticoagulant protein-B
Authors:Zhu, Z, Liu, S, Mo, X, Yu, X, Liang, Z, Zang, J, Zhao, W, Teng, M, Niu, L.
Deposit date:2004-11-17
Release date:2006-03-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Characterizations and Crystal structures of two snake venom proteins with the activity of binding coagulation factor X from Agkistrodon acutus
To be Published
5CN4
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BU of 5cn4 by Molmil
Ultrafast dynamics in myoglobin: -0.1 ps time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CF2
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BU of 5cf2 by Molmil
Crystal Structure of the I80Y/L114V/I116V mutant of LEH
Descriptor: Limonene-1,2-epoxide hydrolase
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2015-07-08
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of the I80Y/L114V/I116V mutant of LEH
To Be Published
1Y3J
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BU of 1y3j by Molmil
Solution structure of the copper(I) form of the fifth domain of Menkes protein
Descriptor: COPPER (II) ION, Copper-transporting ATPase 1
Authors:Banci, L, Chasapis, C.T, Ciofi-Baffoni, S, Hadjiliadis, N, Rosato, A, Structural Proteomics in Europe (SPINE)
Deposit date:2004-11-25
Release date:2005-03-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:An NMR study of the interaction between the human copper(I) chaperone and the second and fifth metal-binding domains of the Menkes protein
Febs J., 272, 2005
5LIA
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BU of 5lia by Molmil
Crystal structure of murine autotaxin in complex with a small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P.
Deposit date:2016-07-14
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of potent inhibitors of the lysophospholipase autotaxin.
Bioorg. Med. Chem. Lett., 26, 2016
1Y2H
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BU of 1y2h by Molmil
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With 1-(2-chloro-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester
Descriptor: 1-(2-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ZINC ION, ...
Authors:Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-11-22
Release date:2005-03-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design
Nat.Biotechnol., 23, 2005
1M7E
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BU of 1m7e by Molmil
Crystal structure of the phosphotyrosine binding domain(PTB) of mouse Disabled 2(Dab2):implications for Reeling signaling
Descriptor: Disabled homolog 2, NGYENPTYK peptide
Authors:Yun, M, Keshvara, L, Park, C.-G, Zhang, Y.-M, Dickerson, J.B, Zheng, J, Rock, C.O, Curran, T, Park, H.-W.
Deposit date:2002-07-19
Release date:2003-08-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of the Dab homology domains of mouse disabled 1 and 2
J.Biol.Chem., 278, 2003
5CIU
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BU of 5ciu by Molmil
Structural basis of the recognition of H3K36me3 by DNMT3B PWWP domain
Descriptor: DNA (cytosine-5)-methyltransferase 3B, GLYCEROL, Histone H3.2
Authors:Rondelet, G, DAL MASO, T, Willems, L, Wouters, J.
Deposit date:2015-07-13
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural basis for recognition of histone H3K36me3 nucleosome by human de novo DNA methyltransferases 3A and 3B.
J.Struct.Biol., 194, 2016
5LVX
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BU of 5lvx by Molmil
Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator
Descriptor: 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D.
Deposit date:2016-09-14
Release date:2017-10-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018

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