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4TV8
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BU of 4tv8 by Molmil
Tubulin-Maytansine complex
Descriptor: (3beta,4beta,5beta,10beta,11E,13E)-maytansine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O.
Deposit date:2014-06-26
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TY0
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BU of 4ty0 by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with linear intermediate 5' pppA(3',5')pG
Descriptor: ACETATE ION, Cyclic AMP-GMP synthase, MAGNESIUM ION, ...
Authors:Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
Deposit date:2014-07-07
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
4TXZ
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BU of 4txz by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with nonhydrolyzable GTP
Descriptor: Cyclic AMP-GMP synthase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
Deposit date:2014-07-07
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
4UAP
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BU of 4uap by Molmil
X-ray structure of GH31 CBM32-2 bound to GalNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Grondin, J.M, Abe, K, Boraston, A.B, Smith, S.P.
Deposit date:2014-08-11
Release date:2015-10-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
PLoS ONE, 12, 2017
4UCK
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BU of 4uck by Molmil
X-ray structure and activities of an essential Mononegavirales L- protein domain
Descriptor: RNA-DIRECTED RNA POLYMERASE L, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M.
Deposit date:2014-12-03
Release date:2015-11-18
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
4UCZ
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BU of 4ucz by Molmil
X-ray structure and activities of an essential Mononegavirales L- protein domain
Descriptor: GUANOSINE, GUANOSINE-5'-TRIPHOSPHATE, RNA-DIRECTED RNA POLYMERASE L, ...
Authors:Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M.
Deposit date:2014-12-05
Release date:2015-11-18
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
4U2V
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BU of 4u2v by Molmil
Bak BH3-in-Groove dimer (GFP)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Green fluorescent protein,Bcl-2 homologous antagonist/killer
Authors:Brouwer, J.M, Colman, P.M, Czabotar, P.E.
Deposit date:2014-07-18
Release date:2014-09-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bak Core and Latch Domains Separate during Activation, and Freed Core Domains Form Symmetric Homodimers.
Mol.Cell, 55, 2014
4TWS
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BU of 4tws by Molmil
Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.45 A Resolution
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
Authors:Holton, J.M, Classen, S, Frankel, K.A, Tainer, J.A.
Deposit date:2014-07-01
Release date:2014-08-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The R-factor gap in macromolecular crystallography: an untapped potential for insights on accurate structures.
Febs J., 281, 2014
4U2U
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BU of 4u2u by Molmil
Bak domain swapped dimer induced by BidBH3 with CHAPS
Descriptor: Bcl-2 homologous antagonist/killer
Authors:Brouwer, J.M, Colman, P.M, Czabotar, P.E.
Deposit date:2014-07-18
Release date:2014-09-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bak Core and Latch Domains Separate during Activation, and Freed Core Domains Form Symmetric Homodimers.
Mol.Cell, 55, 2014
4UIO
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BU of 4uio by Molmil
Structure of the Salmonella typhi Type I Dehydroquinase covalently inhibited by a 3-dehydroquinic acid derivative
Descriptor: (1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
Authors:Otero, J.M, Llamas-Saiz, A.L, Tizon, L, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2015-03-30
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Chemical Modification of a Dehydratase Enzyme Involved in Bacterial Virulence by an Ammonium Derivative: Evidence of its Active Site Covalent Adduct.
J.Am.Chem.Soc., 137, 2015
4UD0
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BU of 4ud0 by Molmil
X-ray structure and activities of an essential Mononegavirales L- protein domain
Descriptor: RNA-DIRECTED RNA POLYMERASE L, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M.
Deposit date:2014-12-05
Release date:2015-11-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
4UCL
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BU of 4ucl by Molmil
X-ray structure and activities of an essential Mononegavirales L- protein domain
Descriptor: RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION
Authors:Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M.
Deposit date:2014-12-03
Release date:2015-11-18
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
4UCY
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BU of 4ucy by Molmil
X-ray structure and activities of an essential Mononegavirales L- protein domain
Descriptor: RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION
Authors:Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M.
Deposit date:2014-12-05
Release date:2015-11-18
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
4UC4
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BU of 4uc4 by Molmil
Crystal structure of hybrid tudor domain of human lysine demethylase KDM4B
Descriptor: Lysine-specific demethylase 4B
Authors:Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N.
Deposit date:2014-08-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5612 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
4ULX
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BU of 4ulx by Molmil
Crystal structure of ancestral thioredoxin, relative to the last common ancestor of the Cyanobacterial, Deinococcus and Thermus groups, LPBCA-L89K mutant.
Descriptor: CHLORIDE ION, LPBCA-L89K THIOREDOXIN
Authors:Gavira, J.A, Risso, V.A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2014-05-14
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mutational Studies on Resurrected Ancestral Proteins Reveal Conservation of Site-Specific Amino Acid Preferences Throughout Evolutionary History.
Mol.Biol.Evol., 32, 2015
4UEK
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BU of 4uek by Molmil
Galactitol-1-phosphate 5-dehydrogenase from E. coli with Tris within the active site.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, ZINC ION
Authors:Benavente, R, Esteban-Torres, M, Kohring, G.W, Cortes-Cabrera, A, Gago, F, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M.
Deposit date:2014-12-18
Release date:2015-07-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli
Acta Crystallogr.,Sect.D, 71, 2015
7MGQ
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BU of 7mgq by Molmil
AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans
Descriptor: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase, MAGNESIUM ION
Authors:Wizrah, M.S, Chua, S.M.H, Luo, Z, Manik, M.K, Pan, M, Whyte, J.M, Robertson, A.B, Kappler, U, Kobe, B, Fraser, J.A.
Deposit date:2021-04-13
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans.
J.Biol.Chem., 298, 2022
3CCP
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BU of 3ccp by Molmil
X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE
Authors:Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J.
Deposit date:1990-02-28
Release date:1991-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis.
Biochemistry, 29, 1990
1ZEI
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BU of 1zei by Molmil
CROSS-LINKED B28 ASP INSULIN
Descriptor: CHLORIDE ION, INSULIN, M-CRESOL, ...
Authors:Whittingham, J.L, Edwards, E.J, Antson, A.A, Clarkson, J.M, Dodson, G.G.
Deposit date:1998-07-14
Release date:1999-02-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interactions of phenol and m-cresol in the insulin hexamer, and their effect on the association properties of B28 pro --> Asp insulin analogues.
Biochemistry, 37, 1998
1VBE
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BU of 1vbe by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN, MUTANT 242-H2) COMPLEXED WITH R78206
Descriptor: (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1ZEG
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BU of 1zeg by Molmil
STRUCTURE OF B28 ASP INSULIN IN COMPLEX WITH PHENOL
Descriptor: CHLORIDE ION, INSULIN, PHENOL, ...
Authors:Whittingham, J.L, Edwards, E.J, Antson, A.A, Clarkson, J.M, Dodson, G.G.
Deposit date:1998-05-01
Release date:1998-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Interactions of phenol and m-cresol in the insulin hexamer, and their effect on the association properties of B28 pro --> Asp insulin analogues.
Biochemistry, 37, 1998
1VBA
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BU of 1vba by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R78206
Descriptor: (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBB
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BU of 1vbb by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R80633
Descriptor: (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBC
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BU of 1vbc by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R77975
Descriptor: (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
3E4C
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BU of 3e4c by Molmil
Procaspase-1 zymogen domain crystal structure
Descriptor: Caspase-1, MAGNESIUM ION
Authors:Elliott, J.M, Rouge, L, Wiesmann, C, Scheer, J.M.
Deposit date:2008-08-11
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of procaspase-1 zymogen domain reveals insight into inflammatory caspase autoactivation
J.Biol.Chem., 284, 2009

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