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6XE8
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BU of 6xe8 by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 3 apo form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
Authors:Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
Deposit date:2020-06-12
Release date:2021-12-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
6XED
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BU of 6xed by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to tungstate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
Authors:Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
Deposit date:2020-06-12
Release date:2021-12-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
6XEF
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BU of 6xef by Molmil
Crystal structure of the PTP1B YopH WPD loop Chimera 4 bound to vanadate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
Authors:Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
Deposit date:2020-06-12
Release date:2021-12-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
6XEG
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BU of 6xeg by Molmil
Crystal structure of the PTP1B YopH WPD loop Chimera 4 bound to tungstate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
Authors:Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
Deposit date:2020-06-12
Release date:2021-12-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.549 Å)
Cite:Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
4UHU
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BU of 4uhu by Molmil
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A
Descriptor: ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D
Authors:Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
Deposit date:2015-03-25
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.305 Å)
Cite:De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
6E8Y
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BU of 6e8y by Molmil
Unliganded Human Glycerol 3-Phosphate Dehydrogenase
Descriptor: 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ...
Authors:Mydy, L.S, Gulick, A.M.
Deposit date:2018-07-31
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
6E90
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BU of 6e90 by Molmil
Ternary complex of human glycerol 3-phosphate dehydrogenase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, CALCIUM ION, ...
Authors:Mydy, L.S, Gulick, A.M.
Deposit date:2018-07-31
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
6FG0
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BU of 6fg0 by Molmil
Crystal structure of R. ruber ADH-A, mutant Y54G, F43T, L119Y, F282W
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
Deposit date:2018-01-09
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases
Acs Catalysis, 8, 2018
6GMU
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BU of 6gmu by Molmil
Serum paraoxonase-1 by directed evolution with the L69G/H134R/F222S/T332S mutations
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-05-28
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
6G82
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BU of 6g82 by Molmil
Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
Descriptor: CALCIUM ION, Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-04-07
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
6H0A
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BU of 6h0a by Molmil
Serum paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutations
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, CALCIUM ION, ...
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-07-07
Release date:2019-07-17
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
6G0A
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BU of 6g0a by Molmil
The crystal structure of the Pol2 catalytic domain of DNA polymerase epsilon carrying a P301R substitution.
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*TP*AP*AP*CP*CP*GP*CP*GP*TP*TP*DC)-3'), ...
Authors:Parkash, V, Johansson, E.
Deposit date:2018-03-16
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase epsilon.
Nat Commun, 10, 2019
6FWK
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BU of 6fwk by Molmil
The crystal structure of Pol2CORE-M644G in complex with DNA and an incoming nucleotide
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*TP*AP*AP*CP*CP*GP*CP*GP*TP*TP*(DOC))-3'), ...
Authors:Parkash, V, Johansson, E.
Deposit date:2018-03-06
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase epsilon.
Nat Commun, 10, 2019
6TIM
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BU of 6tim by Molmil
THE ADAPTABILITY OF THE ACTIVE SITE OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE AS OBSERVED IN THE CRYSTAL STRUCTURES OF THREE DIFFERENT COMPLEXES
Descriptor: SN-GLYCEROL-3-PHOSPHATE, TRIOSEPHOSPHATE ISOMERASE
Authors:Noble, M.E.M, Wierenga, R.K, Hol, W.G.J.
Deposit date:1991-04-23
Release date:1992-10-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes.
Proteins, 10, 1991
6MES
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BU of 6mes by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1907)
Descriptor: 1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2018-09-07
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei
Rsc Med Chem, 2020
5NIW
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BU of 5niw by Molmil
Glucose oxydase mutant A2
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Hoffmann, K, Frank, D.
Deposit date:2017-03-27
Release date:2017-11-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
5NIT
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BU of 5nit by Molmil
Glucose oxidase mutant A2
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Hoffmann, K.
Deposit date:2017-03-27
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
5OD3
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BU of 5od3 by Molmil
Crystal structure of R. ruber ADH-A, mutant Y54G, L119Y
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
Deposit date:2017-07-04
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases
Acs Catalysis, 8, 2018
6I8A
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BU of 6i8a by Molmil
The crystal structure of the Pol2 catalytic domain of DNA polymerase epsilon carrying a P301R substitution.
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
Authors:Parkash, V, Johansson, E.
Deposit date:2018-11-19
Release date:2019-01-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.652 Å)
Cite:Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase epsilon.
Nat Commun, 10, 2019
3LSQ
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BU of 3lsq by Molmil
Trypanosoma brucei seryl-tRNA synthetase
Descriptor: MALONATE ION, SODIUM ION, Seryl-tRNA synthetase
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-02-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystal structure of Seryl-tRNA synthetase from the eukaryotic parasite Trypanosoma brucei.
to be published
3LSS
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BU of 3lss by Molmil
Trypanosoma brucei seryl-tRNA synthetase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MALONATE ION, SODIUM ION, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-02-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray crystal structure of Seryl-tRNA synthetase from the eukaryotic parasite Trypanosoma brucei.
to be published
3LX3
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BU of 3lx3 by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS) in complex with xanthopterin
Descriptor: 2-amino-1,5-dihydropteridine-4,6-dione, 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-02-24
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
3M0N
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BU of 3m0n by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS), E37A catalytic residue mutant
Descriptor: PTERINE, Putative 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-03-03
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
3LZE
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BU of 3lze by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS), E37C catalytic residue mutant
Descriptor: PTERINE, Putative 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-03-01
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
6R1P
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BU of 6r1p by Molmil
EthR ligand complex
Descriptor: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one, HTH-type transcriptional regulator EthR
Authors:Pohl, E, Tatum, N.
Deposit date:2019-03-14
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds.
J Phys Chem Lett, 10, 2019

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數據於2024-08-28公開中

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