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5ELM
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BU of 5elm by Molmil
Crystal structure of L-aspartate/glutamate specific racemase in complex with L-glutamate
Descriptor: Asp/Glu_racemase family protein, GLUTAMIC ACID, GLYCEROL, ...
Authors:Ahn, J.W, Chang, J.H, Kim, K.J.
Deposit date:2015-11-04
Release date:2015-11-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for an atypical active site of an l-aspartate/glutamate-specific racemase from Escherichia coli
Febs Lett., 589, 2015
5OKR
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BU of 5okr by Molmil
Conservatively refined structure of Gan1D-WT, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with 6-phospho-beta-glucose
Descriptor: 6-O-phosphono-beta-D-glucopyranose, GLYCEROL, IMIDAZOLE, ...
Authors:Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
Deposit date:2017-07-25
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
5VR8
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BU of 5vr8 by Molmil
Human UDP-Glucose Dehydrogenase with UDP-Xylose Bound to the Co-enzyme Site
Descriptor: ADENOSINE-5'-DIPHOSPHATE, UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE
Authors:Kadirvelraj, R, Beattie, N.R, Wood, Z.A.
Deposit date:2017-05-10
Release date:2017-07-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:The entropic force generated by intrinsically disordered segments tunes protein function.
Nature, 563, 2018
4RK8
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BU of 4rk8 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356
Descriptor: 5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Zhu, L, Ren, X, Zhu, J, Li, H.
Deposit date:2014-10-12
Release date:2015-11-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356
TO BE PUBLISHED
8A14
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BU of 8a14 by Molmil
Crystal structure of the cerato-platanin-like protein Cpl1 from Ustilago maydis
Descriptor: Cerato-platatanin-like protein 1
Authors:Weiland, P, Bange, G, Altegoer, F.
Deposit date:2022-05-31
Release date:2023-05-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional analysis of the cerato-platanin-like protein Cpl1 suggests diverging functions in smut fungi.
Mol Plant Pathol, 24, 2023
5EMY
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BU of 5emy by Molmil
Human Pancreatic Alpha-Amylase in complex with the mechanism based inactivator glucosyl epi-cyclophellitol
Descriptor: (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, CALCIUM ION, CHLORIDE ION, ...
Authors:Caner, S, Brayer, G.D.
Deposit date:2015-11-06
Release date:2016-07-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.231 Å)
Cite:Glucosyl epi-cyclophellitol allows mechanism-based inactivation and structural analysis of human pancreatic alpha-amylase.
Febs Lett., 590, 2016
1H45
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BU of 1h45 by Molmil
R210G N-TERMINAL LOBE HUMAN LACTOFERRIN
Descriptor: CARBONATE ION, FE (III) ION, LACTOFERRIN
Authors:Peterson, N.A, Anderson, B.F, Jameson, G.B, Tweedie, J.W, Baker, E.N.
Deposit date:2002-10-03
Release date:2002-11-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:"Dilysine Trigger" in Transferrins Probed by Mutagenesis of Lactoferrin: Crystal Structures of the R210G, R210E, and R210L Mutants of Human Lactoferrin
Biochemistry, 41, 2002
6UOD
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BU of 6uod by Molmil
Asparaginase II from Escherichia coli
Descriptor: L-asparaginase 2
Authors:Araujo, T.S, Almeida, M.S, Lima, L.M.T.R.
Deposit date:2019-10-14
Release date:2020-10-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2.
Biophys.Chem., 271, 2021
4S0Z
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BU of 4s0z by Molmil
Crystal structure of M26V human DJ-1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Protein DJ-1
Authors:Milkovic, N.M, Wilson, M.A.
Deposit date:2015-01-07
Release date:2015-08-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Transient sampling of aggregation-prone conformations causes pathogenic instability of a parkinsonian mutant of DJ-1 at physiological temperature.
Protein Sci., 24, 2015
5OKG
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BU of 5okg by Molmil
Non-conservatively refined structure of Gan1D-E170Q, a catalytic mutant of a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with cellobiose-6-phosphate
Descriptor: 6-O-phosphono-beta-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, GLYCEROL, ...
Authors:Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
Deposit date:2017-07-25
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
4RM4
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BU of 4rm4 by Molmil
The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhouw, W.H, Zhang, A.L, Zhang, T, Hall, E.A, Hutchinson, S, Cryle, M.J, Wong, L.-L, Bell, S.G.
Deposit date:2014-10-18
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis.
Mol Biosyst, 11, 2015
7ZMW
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BU of 7zmw by Molmil
14-3-3s binding to non-natural peptide 2c
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, non-natural peptide 1
Authors:Somsen, B.A, Craenmehr, F.W.B, Ottmann, C.
Deposit date:2022-04-19
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Functional mapping of the 14-3-3 hub protein as a guide to design 14-3-3 molecular glues.
Chem Sci, 13, 2022
5OLB
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BU of 5olb by Molmil
crystal structure of autotaxin in complex with PF-8380
Descriptor: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Hoerer, S, Lammens, A.
Deposit date:2017-07-27
Release date:2018-01-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.
ACS Med Chem Lett, 8, 2017
6TXR
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BU of 6txr by Molmil
Structural insights into cubane-modified aptamer recognition of a malaria biomarker
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Cheung, Y, Roethlisberger, P, Mechaly, A, Weber, P, Wong, A, Lo, Y, Haouz, A, Savage, P, Hollenstein, M, Tanner, J.
Deposit date:2020-01-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evolution of abiotic cubane chemistries in a nucleic acid aptamer allows selective recognition of a malaria biomarker.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NUL
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BU of 5nul by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57T SEMIQUINONE (150K)
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
Deposit date:1996-12-20
Release date:1997-03-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
6DPQ
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BU of 6dpq by Molmil
Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1
Descriptor: (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
Authors:Pham, K.N, Yeh, S.R.
Deposit date:2018-06-09
Release date:2018-11-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Mapping the Binding Trajectory of a Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
6TVX
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BU of 6tvx by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12676 (an AOPCP derivative, compound 9 in paper) in the closed state
Descriptor: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Authors:Pippel, J, Strater, N.
Deposit date:2020-01-10
Release date:2020-02-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
5O1T
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BU of 5o1t by Molmil
Solution structure of the RNA binding domain of Nrd1
Descriptor: Protein NRD1
Authors:Martinez-Lumbreras, S, Perez-Canadillas, J.M.
Deposit date:2017-05-19
Release date:2017-08-02
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition.
Nucleic Acids Res., 45, 2017
5OLW
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BU of 5olw by Molmil
5-fluorotryptophan labeled beta-phosphoglucomutase in an open conformation
Descriptor: Beta-phosphoglucomutase, CALCIUM ION
Authors:Bowler, M.W, von Velsen, J.
Deposit date:2017-07-28
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Observing enzyme ternary transition state analogue complexes by19F NMR spectroscopy.
Chem Sci, 8, 2017
4FMB
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BU of 4fmb by Molmil
VirA-Rab1 complex structure
Descriptor: ALUMINUM FLUORIDE, Cysteine protease-like virA, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Shao, F, Zhu, Y.
Deposit date:2012-06-16
Release date:2012-09-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
6DU7
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BU of 6du7 by Molmil
Glutathione reductase from Streptococcus pneumoniae
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, THIOCYANATE ION
Authors:Maher, M.J, Sikanyika, M.
Deposit date:2018-06-19
Release date:2019-01-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:The structure and activity of the glutathione reductase from Streptococcus pneumoniae.
Acta Crystallogr F Struct Biol Commun, 75, 2019
1H43
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BU of 1h43 by Molmil
R210E N-TERMINAL LOBE HUMAN LACTOFERRIN
Descriptor: CARBONATE ION, FE (III) ION, LACTOFERRIN
Authors:Peterson, N.A, Arcus, V.L, Anderson, B.F, Jameson, G.B, Tweedie, J.W, Baker, E.N.
Deposit date:2002-10-02
Release date:2002-11-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:"Dilysine Trigger" in Transferrins Probed by Mutagenesis of Lactoferrin: Crystal Structures of the R210G, R210E, and R210L Mutants of Human Lactoferrin
Biochemistry, 41, 2002
1RDX
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BU of 1rdx by Molmil
R-STATE STRUCTURE OF THE ARG 243 TO ALA MUTANT OF PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI
Descriptor: 6-O-phosphono-beta-D-fructofuranose, FRUCTOSE 1,6-BISPHOSPHATASE
Authors:Stec, B, Abraham, R, Giroux, E, Kantrowitz, E.R.
Deposit date:1996-05-17
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structures of the active site mutant (Arg-243-->Ala) in the T and R allosteric states of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli.
Protein Sci., 5, 1996
1RQA
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BU of 1rqa by Molmil
Crystallographic Analysis of the Interaction of Nitric Oxide with Quaternary-T Human Hemoglobin. Beta W73E hemoglobin exposed to NO under anaerobic conditions
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, NITRIC OXIDE, ...
Authors:Chan, N.-L, Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2003-12-04
Release date:2005-01-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystallographic analysis of the interaction of nitric oxide with quaternary-T human hemoglobin.
Biochemistry, 43, 2004
7ZMU
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BU of 7zmu by Molmil
14-3-3s binding to non-natural peptide 2d
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, non-natural peptide 2
Authors:Somsen, B.A, Craenmehr, F.W.B, Ottmann, C.
Deposit date:2022-04-19
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional mapping of the 14-3-3 hub protein as a guide to design 14-3-3 molecular glues.
Chem Sci, 13, 2022

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