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3VRG
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BU of 3vrg by Molmil
The crystal structure of hemoglobin from woolly mammoth in the met form
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta/delta hybrid, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Noguchi, H, Campbell, K.L, Ho, C, Park, S.-Y, Tame, J.R.H.
Deposit date:2012-04-09
Release date:2012-11-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of haemoglobin from woolly mammoth in liganded and unliganded states.
Acta Crystallogr.,Sect.D, 68, 2012
6ND0
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BU of 6nd0 by Molmil
human BK channel reconstituted into liposomes
Descriptor: Calcium-activated potassium channel subunit alpha-1
Authors:Wang, L, Tonggu, L.
Deposit date:2018-12-13
Release date:2020-06-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Broken symmetry in the human BK channel
To Be Published
6HO9
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BU of 6ho9 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44825
Descriptor: 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
3VX1
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BU of 3vx1 by Molmil
Crystal Structure of alpha-Amylase from Aspergillus oryzae
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase A type-1/2, CALCIUM ION
Authors:Sugahara, M.
Deposit date:2012-09-06
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of alpha-Amylase from Aspergillus oryzae
To be Published
5KSY
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BU of 5ksy by Molmil
hMiro1 C-domain GDP Complex P41212 Crystal Form
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1
Authors:Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
Deposit date:2016-07-10
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.482 Å)
Cite:Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
1UT1
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BU of 1ut1 by Molmil
DraE adhesin from Escherichia Coli
Descriptor: 1,2-ETHANEDIOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, SULFATE ION
Authors:Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S.
Deposit date:2003-12-02
Release date:2004-08-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
5DN1
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BU of 5dn1 by Molmil
Crystal structure of Phosphoribosyl isomerase A from Streptomyces coelicolor
Descriptor: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, GLYCEROL, Phosphoribosyl isomerase A, ...
Authors:Chang, C, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-09-09
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
3VQH
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BU of 3vqh by Molmil
Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Pflug, A, Johnson, K.A, Engh, R.A.
Deposit date:2012-03-23
Release date:2012-08-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89
Acta Crystallogr.,Sect.F, 68, 2012
2HMO
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BU of 2hmo by Molmil
Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to 3-Nitrotoluene.
Descriptor: 1,2-ETHANEDIOL, 3-NITROTOLUENE, FE (III) ION, ...
Authors:Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
Deposit date:2006-07-11
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
4EYY
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BU of 4eyy by Molmil
Crystal Structure of the IcmR-IcmQ complex from Legionella pneumophila
Descriptor: IcmQ, IcmR
Authors:Farelli, J.D, Gumbart, J, Akey, I.V, Amyot, W, Hempstead, A.D, Head, J.F, McKnight, C.J, Isberg, R.R, Akey, C.W.
Deposit date:2012-05-02
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:IcmQ in the Type 4b secretion system contains an NAD+ binding domain.
Structure, 21, 2013
2I16
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BU of 2i16 by Molmil
Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 15K
Descriptor: Aldose reductase, CITRIC ACID, IDD594, ...
Authors:Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A.
Deposit date:2006-08-13
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.81 Å)
Cite:Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
4F4M
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BU of 4f4m by Molmil
Structure of the type VI peptidoglycan amidase effector Tse1 (C30A) from Pseudomonas aeruginosa
Descriptor: papain peptidoglycan amidase effector Tse1
Authors:Chou, S, Mougous, J.D.
Deposit date:2012-05-10
Release date:2012-05-30
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (2.677 Å)
Cite:Structure of a peptidoglycan amidase effector targeted to Gram-negative bacteria by the type VI secretion system.
Cell Rep, 1, 2012
3LC4
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BU of 3lc4 by Molmil
Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Dodecanoic Acid
Descriptor: 12-(1H-imidazol-1-yl)dodecanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, Porubsky, P.R.
Deposit date:2010-01-09
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
1SUE
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BU of 1sue by Molmil
SUBTILISIN BPN' FROM BACILLUS AMYLOLIQUEFACIENS, MUTANT
Descriptor: DIISOPROPYL PHOSPHONATE, SODIUM ION, SUBTILISIN BPN'
Authors:Gallagher, D.T, Bryan, P, Pan, Q, Gilliland, G.L.
Deposit date:1998-02-17
Release date:1998-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of ionic strength dependence of crystal growth rates in a subtilisin variant.
J.Cryst.Growth, 193, 1998
1ST2
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BU of 1st2 by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF BACILLUS AMYLOLIQUEFACIENS SUBTILISIN AT 1.8 ANGSTROMS AND AN ANALYSIS OF THE STRUCTURAL CONSEQUENCES OF PEROXIDE INACTIVATION
Descriptor: CALCIUM ION, SUBTILISIN BPN', SULFATE ION
Authors:Bott, R.
Deposit date:1990-03-21
Release date:1991-07-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:The three-dimensional structure of Bacillus amyloliquefaciens subtilisin at 1.8 A and an analysis of the structural consequences of peroxide inactivation.
J.Biol.Chem., 263, 1988
5DZV
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BU of 5dzv by Molmil
Protocadherin alpha 7 extracellular cadherin domains 1-5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdha7, ...
Authors:Goodman, K.M, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2015-09-26
Release date:2016-05-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
1TJK
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BU of 1tjk by Molmil
Crystal structure of the complex formed between group II phospholipase A2 with a designed pentapeptide, Phe- Leu- Ser- Thr- Lys at 1.2 A resolution
Descriptor: Phospholipase A2, SULFATE ION, synthetic peptide
Authors:Singh, N, Jabeen, T, Somvanshi, R.K, Sharma, S, Perbandt, M, Dey, S, Betzel, C, Singh, T.P.
Deposit date:2004-06-06
Release date:2004-06-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the complex formed between group II phospholipase A2 with a designed pentapeptide, Phe - Leu - Ser - Thr - Lys at 1.2 A resolution
To be Published
4ZAU
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BU of 4zau by Molmil
AZD9291 complex with wild type EGFR
Descriptor: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M.
Deposit date:2015-04-14
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed.
J.Struct.Biol., 192, 2015
6I8T
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BU of 6i8t by Molmil
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH AN ISOINDOLINONE INHIBITOR
Descriptor: (1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, Poly [ADP-ribose] polymerase 1
Authors:Casale, E, Papeo, G, Montagnoli, A.
Deposit date:2018-11-21
Release date:2019-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515.
Acs Med.Chem.Lett., 10, 2019
1TIK
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BU of 1tik by Molmil
CRYSTAL STRUCTURE OF ACYL CARRIER PROTEIN PHOSPHODIESTERASE
Descriptor: Acyl carrier protein phosphodiesterase, SULFATE ION
Authors:Rajashankar, K.R, Kniewel, R, Solorzano, V, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-06-02
Release date:2004-06-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CRYSTAL STRUCTURE OF ACYL CARRIER PROTEIN PHOSPHODIESTERASE
To be Published
4ABI
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BU of 4abi by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
Authors:Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
Deposit date:2011-12-08
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
4ABJ
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BU of 4abj by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
Authors:Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
Deposit date:2011-12-08
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
1TKQ
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BU of 1tkq by Molmil
SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN IN A MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE IN THE PRESENCE OF CsCl
Descriptor: GRAMICIDIN A, MINI-GRAMICIDIN A, SUCCINIC ACID
Authors:Xie, X, Al-Momani, L, Bockelmann, D, Griesinger, C, Koert, U.
Deposit date:2004-06-09
Release date:2004-07-13
Last modified:2019-09-25
Method:SOLUTION NMR
Cite:An Asymmetric Ion Channel Derived from Gramicidin A. Synthesis, Function and NMR Structure.
FEBS J., 272, 2005
6I5A
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BU of 6i5a by Molmil
Tobacco Mosaic Virus
Descriptor: Capsid protein
Authors:Song, B, Flegler, V, Makbul, C, Rasmussen, T, Bottcher, B.
Deposit date:2018-11-13
Release date:2019-02-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Capabilities of the Falcon III detector for single-particle structure determination.
Ultramicroscopy, 203, 2019
1TM7
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BU of 1tm7 by Molmil
crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59Y mutant
Descriptor: CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ...
Authors:Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E.
Deposit date:2004-06-10
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004

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