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4I3X
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BU of 4i3x by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetate and cofactor NAD+
Descriptor: Aldehyde dehydrogenase (NAD+), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHONOACETIC ACID
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
3DMT
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BU of 3dmt by Molmil
Structure of Glycosomal Glyceraldehyde-3-Phosphate Dehydrogenase from Trypanosoma cruzi in complex with the irreversible iodoacetate inhibitor
Descriptor: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, glycosomal, ...
Authors:Guido, R.V.C, Balliano, T.L, Andricopulo, A.D, Oliva, G.
Deposit date:2008-07-01
Release date:2008-10-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Kinetic and Crystallographic Studies on Glyceraldehyde-3-Phosphate Dehydrogenase from Trypanosoma cruzi in Complex with Iodoacetate.
Letters in drug design & discovery, 6, 2009
6JL0
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BU of 6jl0 by Molmil
Crystal structure of VvPlpA from Vibrio vulnificus
Descriptor: BROMIDE ION, Thermolabile hemolysin
Authors:Ma, Q, Wan, Y, Liu, C.
Deposit date:2019-03-03
Release date:2019-05-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.073 Å)
Cite:Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad.
J.Biol.Chem., 294, 2019
4QO7
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BU of 4qo7 by Molmil
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
1YQO
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BU of 1yqo by Molmil
T268A mutant heme domain of flavocytochrome P450 BM3
Descriptor: Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Clark, J.P, Miles, C.S, Mowat, C.G, Walkinshaw, M.D, Reid, G.A, Daff, S.N, Chapman, S.K.
Deposit date:2005-02-02
Release date:2006-01-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The role of Thr268 and Phe393 in cytochrome P450 BM3.
J.Inorg.Biochem., 100, 2006
3HS6
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BU of 3hs6 by Molmil
X-ray crystal structure of eicosapentaenoic acid bound to the cyclooxygenase channel of cyclooxygenase-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vecchio, A.J, Simmons, D.M, Malkowski, M.G.
Deposit date:2009-06-10
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of fatty acid substrate binding to cyclooxygenase-2.
J.Biol.Chem., 285, 2010
2R6S
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BU of 2r6s by Molmil
Crystal structure of Gab protein
Descriptor: BICINE, FE (II) ION, GLYCEROL, ...
Authors:Lohkamp, B, Dobritzsch, D.
Deposit date:2007-09-06
Release date:2008-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A mixture of fortunes: the curious determination of the structure of Escherichia coli BL21 Gab protein.
Acta Crystallogr.,Sect.D, 64, 2008
6AUK
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BU of 6auk by Molmil
Crystal structure of rotavirus Non Structural protein 2 (NSP2) mutant S313D
Descriptor: CHLORIDE ION, Non-structural protein 2, SULFATE ION
Authors:Hu, L, Prasad, B.V.
Deposit date:2017-09-01
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Phosphorylation cascade regulates the formation and maturation of rotaviral replication factories.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4B4E
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BU of 4b4e by Molmil
1.00 A Structure of Lysozyme Crystallized with (R)-2-methyl-2,4- pentanediol
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, LYSOZYME C
Authors:Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N.
Deposit date:2012-07-30
Release date:2012-08-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol
Acta Crystallogr.,Sect.D, 71, 2015
2RBR
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BU of 2rbr by Molmil
2-phenoxyethanol in complex with T4 lysozyme L99A/M102Q
Descriptor: 2-phenoxyethanol, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
6JLM
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BU of 6jlm by Molmil
XFEL structure of cyanobacterial photosystem II (dark state, dataset2)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2019-03-06
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6AX7
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BU of 6ax7 by Molmil
The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus
Descriptor: FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase
Authors:Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M.
Deposit date:2017-09-06
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
4I7L
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BU of 4i7l by Molmil
T4 Lysozyme L99A/M102H with phenol bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
1YL7
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BU of 1yl7 by Molmil
the crystal structure of Mycobacterium tuberculosis dihydrodipicolinate reductase (Rv2773c) in complex with NADH (crystal form C)
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dihydrodipicolinate reductase, MAGNESIUM ION
Authors:Janowski, R, Kefala, G, Weiss, M.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-01-19
Release date:2006-01-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The structure of dihydrodipicolinate reductase (DapB) from Mycobacterium tuberculosis in three crystal forms.
Acta Crystallogr.,Sect.D, 66, 2010
3DN6
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BU of 3dn6 by Molmil
1,3,5-trifluoro-2,4,6-trichlorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
Descriptor: 1,3,5-trichloro-2,4,6-trifluorobenzene, 2-HYDROXYETHYL DISULFIDE, Lysozyme, ...
Authors:Liu, L, Matthews, B.W.
Deposit date:2008-07-01
Release date:2008-11-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
4QKX
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BU of 4qkx by Molmil
Structure of beta2 adrenoceptor bound to a covalent agonist and an engineered nanobody
Descriptor: 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, R9 protein, ...
Authors:Weichert, D, Kruse, A.C, Manglik, A, Hiller, C, Zhang, C, Huebner, H, Kobilka, B.K, Gmeiner, P.
Deposit date:2014-06-10
Release date:2014-07-23
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Covalent agonists for studying G protein-coupled receptor activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
4I5G
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BU of 4i5g by Molmil
Crystal structure of Ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S, A86N, S88A
Descriptor: Alclohol dehydrogenase/short-chain dehydrogenase
Authors:Jarasch, A, Lerchner, A, Meining, W, Schiefner, A, Skerra, A.
Deposit date:2012-11-28
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic analysis and structure-guided engineering of NADPH-dependent Ralstonia sp. Alcohol dehydrogenase toward NADH cosubstrate specificity.
Biotechnol.Bioeng., 110, 2013
3DPC
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BU of 3dpc by Molmil
Structure of E.coli Alkaline Phosphatase Mutant in Complex with a Phosphorylated Peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, PHOSPHATE ION, ...
Authors:Wang, W.H, Jiang, T.
Deposit date:2008-07-07
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a universal phosphorylated peptide-binding protein for simultaneous assay of kinases
Biosens.Bioelectron., 24, 2009
4QGZ
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BU of 4qgz by Molmil
X-ray structure of the adduct formed between hen egg white lysozyme and trans-dimethylamine methylamine dichlorido platinum(II)
Descriptor: Lysozyme C, bis(chloranyl)-(dimethylamino)-(methylamino)platinum
Authors:Russo Krauss, I, Merlino, A.
Deposit date:2014-05-26
Release date:2014-07-30
Last modified:2014-08-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Interactions between Anticancer trans-Platinum Compounds and Proteins: Crystal Structures and ESI-MS Spectra of Two Protein Adducts of trans-(Dimethylamino)(methylamino)dichloridoplatinum(II).
Inorg.Chem., 53, 2014
4QLJ
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BU of 4qlj by Molmil
Crystal structure of rice BGlu1 E386G/Y341A/Q187A mutant complexed with cellotetraose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ...
Authors:Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:2014-06-12
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Effects of active site cleft residues on oligosaccharide binding, hydrolysis, and glycosynthase activities of rice BGlu1 and its mutants
Protein Sci., 23, 2014
4QHB
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BU of 4qhb by Molmil
Crystal structure of a putative hydrolase (BVU_2763) from Bacteroides vulgatus ATCC 8482 at 2.44 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-05-28
Release date:2014-06-18
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of a hypothetical protein (BVU_2763) from Bacteroides vulgatus ATCC 8482 at 2.44 A resolution
To be published
6AY0
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BU of 6ay0 by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide
Descriptor: COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-09-07
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
4I6Y
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BU of 4i6y by Molmil
3-hydroxy-3-methyl (HMG) Coenzyme A Reductase bound to R-Mevalonate
Descriptor: (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, ...
Authors:Steussy, C.N, Stauffacher, C.V, Schmidt, T, Burgner II, J.W, Rodwell, V.W, Wrensford, L.V, Critchelow, C.J, Min, J.
Deposit date:2012-11-30
Release date:2013-07-17
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
1YRZ
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BU of 1yrz by Molmil
Crystal structure of xylan beta-1,4-xylosidase from Bacillus Halodurans C-125
Descriptor: xylan beta-1,4-xylosidase
Authors:Fedorov, A.A, Fedorov, E.V, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2005-02-05
Release date:2005-02-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of xylan beta-1,4-xylosidase from Bacillus Halodurans C-125
To be Published
6JLK
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BU of 6jlk by Molmil
XFEL structure of cyanobacterial photosystem II (1F state, dataset1)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2019-03-06
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019

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