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2C54
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BU of 2c54 by Molmil
gdp-mannose-3', 5' -epimerase (arabidopsis thaliana),k178r, with gdp-beta-l-gulose and gdp-4-keto-beta-l-gulose bound in active site.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMIC ACID, GDP-MANNOSE-3', ...
Authors:Major, L.L, Wolucka, B.A, Naismith, J.H.
Deposit date:2005-10-25
Release date:2005-11-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and function of GDP-mannose-3',5'-epimerase: an enzyme which performs three chemical reactions at the same active site.
J. Am. Chem. Soc., 127, 2005
5UDL
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BU of 5udl by Molmil
IFIT1 N216A monomeric mutant (L457E/L464E) with m7Gppp-AAAA (anti conformation of cap)
Descriptor: CALCIUM ION, Interferon-induced protein with tetratricopeptide repeats 1, RNA (5'-D(*(GTA))-R(P*AP*AP*A)-3'), ...
Authors:Abbas, Y.M, Martinez-Montero, S, Damha, M.J, Nagar, B.
Deposit date:2016-12-27
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of human IFIT1 with capped RNA reveals adaptable mRNA binding and mechanisms for sensing N1 and N2 ribose 2'-O methylations.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4DXT
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BU of 4dxt by Molmil
Human SUN2 (AA 522-717)
Descriptor: POTASSIUM ION, SUN domain-containing protein 2
Authors:Sosa, B, Schwartz, T.U.
Deposit date:2012-02-28
Release date:2012-06-06
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:LINC Complexes Form by Binding of Three KASH Peptides to Domain Interfaces of Trimeric SUN Proteins.
Cell(Cambridge,Mass.), 149, 2012
5VZR
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BU of 5vzr by Molmil
Crystal Structure of MERS-CoV neutralizing antibody G4 Fab
Descriptor: G4 antibody heavy chain, G4 antibody light chain, GLYCEROL
Authors:Wang, N, Wrapp, D, McLellan, J.S.
Deposit date:2017-05-29
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9I
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BU of 5w9i by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G4 VH, ...
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3SE8
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BU of 3se8 by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC03 in complex with HIV-1 gp120
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kwong, P.D, Zhou, T.
Deposit date:2011-06-10
Release date:2011-08-10
Last modified:2021-04-07
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing.
Science, 333, 2011
5W9O
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BU of 5w9o by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: G4 VH, G4 VL, Spike glycoprotein
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2020-01-01
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5A7B
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BU of 5a7b by Molmil
Structure of the p53 cancer Y220C bound to the stabilizing small molecule PhiKan5211
Descriptor: 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C.
Deposit date:2015-07-03
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere.
Acs Chem.Biol., 10, 2015
5AEA
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BU of 5aea by Molmil
Crystal structure of human NCAM domain 1
Descriptor: CITRATE ANION, NEURAL CELL ADHESION MOLECULE 1
Authors:Kvansakul, M, Griffiths, K, Foley, M.
Deposit date:2015-08-27
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:I-Bodies, Human Single Domain Antibodies that Antagonize Chemokine Receptor Cxcr4.
J.Biol.Chem., 291, 2016
5XKH
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BU of 5xkh by Molmil
Crystal structure of T2R-TTL-CF1 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
3SS1
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BU of 3ss1 by Molmil
Clostridium difficile toxin A (TcdA) glucolsyltransferase domain
Descriptor: MANGANESE (II) ION, Toxin A
Authors:Pruitt, R.N, Chumbler, N.M, Farrow, M.A, Seeback, S.A, Friedman, D.B, Spiller, B.W, Lacy, D.B.
Deposit date:2011-07-07
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structural Determinants of Clostridium difficile Toxin A Glucosyltransferase Activity.
J.Biol.Chem., 287, 2012
5BRU
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BU of 5bru by Molmil
Catalytic Improvement of an Artificial Metalloenzyme by Computational Design
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION, ...
Authors:Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R.
Deposit date:2015-06-01
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
3O9K
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BU of 3o9k by Molmil
Influenza NA in complex with compound 6
Descriptor: 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid, Neuraminidase
Authors:Russell, R.J, Kerry, P.S.
Deposit date:2010-08-04
Release date:2010-12-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4945 Å)
Cite:Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase.
Nat Commun, 1, 2010
3O9J
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BU of 3o9j by Molmil
Influenza NA in complex with compound 5
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ...
Authors:Russell, R.J, Kerry, P.S.
Deposit date:2010-08-04
Release date:2010-12-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.0002 Å)
Cite:Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase.
Nat Commun, 1, 2010
5W9K
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BU of 5w9k by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: G4 VH, G4 VL, Spike glycoprotein
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5AJJ
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BU of 5ajj by Molmil
Crystal structure of variola virus virulence factor F1L in complex with human Bid BH3 domain
Descriptor: ACETATE ION, BH3-INTERACTING DOMAIN DEATH AGONIST, GLYCEROL, ...
Authors:Kvansakul, M, Colman, P.M.
Deposit date:2015-02-25
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Variola Virus F1L is a Bcl-2-Like Protein that Unlike its Vaccinia Virus Counterpart Inhibits Apoptosis Independent of Bim.
Cell Death Dis., 6, 2015
5CR5
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BU of 5cr5 by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-07-22
Release date:2015-08-12
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.
Acs Med.Chem.Lett., 6, 2015
3OZI
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BU of 3ozi by Molmil
Crystal structure of the TIR domain from the flax disease resistance protein L6
Descriptor: COBALT (II) ION, L6tr
Authors:Ve, T, Bernoux, M, Williams, S, Valkov, E, Warren, C, Hatters, D, Ellis, J.G, Dodds, P.N, Kobe, B.
Deposit date:2010-09-25
Release date:2011-04-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Analysis of a Plant Resistance Protein TIR Domain Reveals Interfaces for Self-Association, Signaling, and Autoregulation.
Cell Host Microbe, 9, 2011
5W9L
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BU of 5w9l by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: G4 VH, G4 VL, Spike glycoprotein
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3OHL
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BU of 3ohl by Molmil
catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide
Descriptor: CALCIUM ION, N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide, SULFATE ION, ...
Authors:Kowatz, T, Naismith, J.H.
Deposit date:2010-08-17
Release date:2011-06-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Non-Resonance Raman Difference Spectroscopy as a Tool to Probe Enthalpy-Entropy Compensation and the Interfacial Mobility Model
To be Published
3OHO
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BU of 3oho by Molmil
catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methylphenylsulfonamido)acetamide
Descriptor: CALCIUM ION, N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide, SULFATE ION, ...
Authors:Kowatz, T, Naismith, J.H.
Deposit date:2010-08-17
Release date:2011-06-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-Resonance Raman Difference Spectroscopy as a Tool to Probe Enthalpy-Entropy Compensation and the Interfacial Mobility Model
To be Published
5W9H
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BU of 5w9h by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G4 VH, ...
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VYH
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BU of 5vyh by Molmil
Crystal Structure of MERS-CoV S1 N-terminal Domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ...
Authors:Wang, N, Wrapp, D, Pallesen, J, Ward, A.B, McLellan, J.S.
Deposit date:2017-05-25
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3TT9
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BU of 3tt9 by Molmil
Crystal structure of the stable degradation fragment of human plakophilin 2 isoform a (PKP2a) C752R variant
Descriptor: GLYCEROL, Plakophilin-2
Authors:Schuetz, A, Roske, Y, Gerull, B, Heinemann, U.
Deposit date:2011-09-14
Release date:2012-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular insights into arrhythmogenic right ventricular cardiomyopathy caused by plakophilin-2 missense mutations.
Circ Cardiovasc Genet, 5, 2012
3SRZ
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BU of 3srz by Molmil
Clostridium difficile toxin A (TcdA) glucolsyltransferase domain bound to UDP-glucose
Descriptor: MANGANESE (II) ION, Toxin A, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Pruitt, R.N, Chumbler, N.M, Farrow, M.A, Seeback, S.A, Friedman, D.B, Spiller, B.W, Lacy, D.B.
Deposit date:2011-07-07
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural Determinants of Clostridium difficile Toxin A Glucosyltransferase Activity.
J.Biol.Chem., 287, 2012

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