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4UEE
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BU of 4uee by Molmil
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Ala-Y(PO2CH2)-homoPhe-OH
Descriptor: (2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid, CARBOXYPEPTIDASE A1, ZINC ION
Authors:Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D.
Deposit date:2014-12-17
Release date:2016-01-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors
To be Published
3MHT
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BU of 3mht by Molmil
TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH UNMODIFIED DNA AND ADOHCY
Descriptor: DNA (5'-D(*GP*AP*TP*AP*GP*CP*GP*CP*TP*AP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*TP*AP*GP*CP*GP*CP*TP*AP*TP*C)-3'), PROTEIN (HHAI METHYLTRANSFERASE (E.C.2.1.1.73)), ...
Authors:O'Gara, M, Klimasauskas, S, Roberts, R.J, Cheng, X.
Deposit date:1996-07-24
Release date:1997-01-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Enzymatic C5-cytosine methylation of DNA: mechanistic implications of new crystal structures for HhaL methyltransferase-DNA-AdoHcy complexes.
J.Mol.Biol., 261, 1996
3DB1
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BU of 3db1 by Molmil
Crystal structure of the 2H-phosphatase domain of Sts-2 in complex with phosphate
Descriptor: PHOSPHATE ION, STS-2 protein
Authors:Nassar, N, Chen, Y, Carpino, N.
Deposit date:2008-05-30
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural and functional characterization of the 2H-phosphatase domain of Sts-2 reveals an acid-dependent phosphatase activity.
Biochemistry, 48, 2009
4K8J
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BU of 4k8j by Molmil
Crystal Structure of Staphylococcal nuclease mutant V23L/V66I
Descriptor: Thermonuclease
Authors:Sanders, J.M, Gill, E, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E.
Deposit date:2013-04-18
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hydrophobic core mutants of Staphylococcal nuclease
To be Published
3DHE
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BU of 3dhe by Molmil
ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED DEHYDROEPIANDROSTERONE
Descriptor: 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE
Authors:Han, Q, Campbell, R.L, Gangloff, A, Lin, S.X.
Deposit date:1998-03-25
Release date:1999-09-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dehydroepiandrosterone and dihydrotestosterone recognition by human estrogenic 17beta-hydroxysteroid dehydrogenase. C-18/c-19 steroid discrimination and enzyme-induced strain.
J.Biol.Chem., 275, 2000
4K68
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BU of 4k68 by Molmil
Structure of a novel GH10 endoxylanase retrieved from sugarcane soil metagenome
Descriptor: GH10 xylanase, GLYCEROL
Authors:Santos, C.R, Polo, C.C, Alvarez, T.M, Paixao, D.A.A, Almeida, R.F, Pereira, I.O, Squina, F.M, Murakami, M.T.
Deposit date:2013-04-15
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Development and biotechnological application of a novel endoxylanase family GH10 identified from sugarcane soil metagenome.
Plos One, 8, 2013
3M3S
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BU of 3m3s by Molmil
Crystal structure of SARS-COV main protease Asn214Ala mutant with authorize N-terminus
Descriptor: 3C-like proteinase
Authors:Shi, J.H, Song, J.X.
Deposit date:2010-03-10
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dynamical Inactivation of the Catalytic Machinery of the SARS-CoV 3C-Like Protease as Triggered by the N214A Mutation on the Extra Domain
To be Published
3DCA
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BU of 3dca by Molmil
Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target
Descriptor: RPA0582, SULFATE ION
Authors:Sledz, P, Wang, S, Chruszcz, M, Yim, V, Kudritska, M, Evdokimova, E, Turk, D, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-06-03
Release date:2008-08-05
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target
To be Published
4K6L
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BU of 4k6l by Molmil
Structure of Typhoid Toxin
Descriptor: Cytolethal distending toxin subunit B homolog, GLYCEROL, Putative pertussis-like toxin subunit
Authors:Gao, X, Song, J, Galan, J.
Deposit date:2013-04-16
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Structure and function of the Salmonella Typhi chimaeric A(2)B(5) typhoid toxin.
Nature, 499, 2013
3M43
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BU of 3m43 by Molmil
Crystal structure of the mutant I199A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum
Descriptor: GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-03-10
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation.
Biochemistry, 49, 2010
3MIS
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BU of 3mis by Molmil
I-MsoI re-designed for altered DNA cleavage specificity (-8G)
Descriptor: CALCIUM ION, DNA (5'-D(*CP*GP*GP*AP*GP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*GP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*CP*TP*CP*CP*G)-3'), ...
Authors:Taylor, G.K, Stoddard, B.L.
Deposit date:2010-04-12
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
4K96
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BU of 4k96 by Molmil
Structure of Binary Complex of cGAS with Bound dsDNA
Descriptor: Cyclic GMP-AMP synthase, DNA-F, DNA-R, ...
Authors:Gao, P, Wu, Y, Patel, D.J.
Deposit date:2013-04-19
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase.
Cell(Cambridge,Mass.), 153, 2013
4K9T
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BU of 4k9t by Molmil
Complex of CYP3A4 with a desoxyritonavir analog
Descriptor: Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
3MJC
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BU of 3mjc by Molmil
Structure of A-type Ketoreductases from Modular Polyketide Synthase
Descriptor: AmphB, GLYCEROL
Authors:Zheng, J, Taylor, C.A, Piasecki, S.K, Keatinge-Clay, A.T.
Deposit date:2010-04-12
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural and Functional Analysis of A-Type Ketoreductases from the Amphotericin Modular Polyketide Synthase.
Structure, 18, 2010
4UHE
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BU of 4uhe by Molmil
Structural studies of a thermophilic esterase from Thermogutta terrifontis (malate bound)
Descriptor: CHLORIDE ION, D-MALATE, ESTERASE, ...
Authors:Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A.
Deposit date:2015-03-24
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis.
FEBS J., 282, 2015
4KA4
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BU of 4ka4 by Molmil
Crystal structure of a proteolytically defined Zbeta domain of human DAI (ZBP1, DLM-1)
Descriptor: DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Z-DNA-binding protein 1
Authors:Athanasiadis, A, de Rosa, M, De Sanctis, D.
Deposit date:2013-04-22
Release date:2013-05-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a proteolytically defined Zbeta domain of human DAI (ZBP1, DLM-1)
To be Published
3D84
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BU of 3d84 by Molmil
Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex with the Potent and Selective Inhibitor 2.4-Diamino-6-(-2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine
Descriptor: Dihydrofolate reductase, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V.
Deposit date:2008-05-22
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.
Acta Crystallogr.,Sect.D, 64, 2008
4UHX
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BU of 4uhx by Molmil
Human aldehyde oxidase in complex with phthalazine and thioridazine
Descriptor: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ALDEHYDE OXIDASE, ...
Authors:Coelho, C, Romao, M.J, Santos-Silva, T.
Deposit date:2015-03-26
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insights Into Xenobiotic and Inhibitor Binding to Human Aldehyde Oxidase
Nat.Chem.Biol., 11, 2015
4KAQ
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BU of 4kaq by Molmil
Structure of rituximab Fab
Descriptor: Rituximab heavy chain, Rituximab light chain
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2013-04-22
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of rituximab
To be Published
3D8Y
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BU of 3d8y by Molmil
RNase A- 5'-Deoxy-5'-N-piperidinothymidine complex
Descriptor: 5'-deoxy-5'-piperidin-1-ylthymidine, CITRATE ANION, Ribonuclease pancreatic
Authors:Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-05-26
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation
J.Med.Chem., 52, 2009
4KAY
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BU of 4kay by Molmil
Structure of the soluble domain of Lipooligosaccharide phosphoethanolamine transferase A from Neisseria meningitidis - complex with Zn
Descriptor: PHOSPHATE ION, YhbX/YhjW/YijP/YjdB family protein, ZINC ION
Authors:Vrielink, A, Wanty, C, Anandan, A.
Deposit date:2013-04-23
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:The Structure of the Neisserial Lipooligosaccharide Phosphoethanolamine Transferase A (LptA) Required for Resistance to Polymyxin.
J.Mol.Biol., 425, 2013
7SJ0
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BU of 7sj0 by Molmil
Antibody A7V3 bound to N-terminal domain of the spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, A7V3 Fab heavy chain, A7V3 Fab light chain, ...
Authors:Hsieh, C.-L, McLellan, J.S.
Deposit date:2021-10-15
Release date:2022-11-16
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Antibody A7V3 bound to N-terminal domain of the spike
To Be Published
3DD9
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BU of 3dd9 by Molmil
Structure of DocH66Y dimer
Descriptor: Death on curing protein
Authors:Garcia-Pino, A, Loris, R.
Deposit date:2008-06-05
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The intrinsically disordered domain of the antitoxin Phd chaperones the toxin Doc against irreversible inactivation and misfolding
J. Biol. Chem., 289, 2014
4K75
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BU of 4k75 by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-QDTRL (ANSRWQDTRL)
Descriptor: Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36-QDTRL peptide
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2013-04-16
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Stereochemical Preferences Modulate Affinity and Selectivity among Five PDZ Domains that Bind CFTR: Comparative Structural and Sequence Analyses.
Structure, 22, 2014
3DDN
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BU of 3ddn by Molmil
Crystal structure of hydroxypyruvic acid phosphate bound D-3-phosphoglycerate dehydrogenase in mycobacterium tuberculosis
Descriptor: 2-oxo-3-(phosphonooxy)propanoic acid, D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID
Authors:Dey, S, Sacchettini, J.C.
Deposit date:2008-06-05
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of substrate and effector binding in Mycobacterium tuberculosis D-3-phosphoglycerate dehydrogenase
Biochemistry, 47, 2008

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