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2HEF
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BU of 2hef by Molmil
CONTRIBUTION OF WATER MOLECULES IN THE INTERIOR OF A PROTEIN TO THE CONFORMATIONAL STABILITY
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Funahashi, J, Yamagata, Y, Fujii, S, Yutani, K.
Deposit date:1997-09-16
Release date:1998-01-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of water molecules in the interior of a protein to the conformational stability.
J.Mol.Biol., 274, 1997
2XDD
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BU of 2xdd by Molmil
A processed non-coding RNA regulates a bacterial antiviral system
Descriptor: TOXI, TOXN, ZINC ION
Authors:Blower, T.R, Pei, X.Y, Short, F.L, Fineran, P.C, Humphreys, D.P, Luisi, B.F, Salmond, G.P.C.
Deposit date:2010-04-30
Release date:2011-01-12
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Phage Abortive Infection System, Toxin, Functions as a Protein-RNA Toxin-Antitoxin Pair.
Proc.Natl.Acad.Sci.USA, 106, 2009
7ADB
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BU of 7adb by Molmil
Transcription termination intermediate complex 1 delta NusG
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ...
Authors:Said, N, Hilal, T, Loll, B, Wahl, C.M.
Deposit date:2020-09-14
Release date:2020-11-04
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
8BBI
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BU of 8bbi by Molmil
Crystal structure of Xyn11 double mutant L271S, K275H from Psedothermotoga thermarum
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-xylanase, GLYCEROL
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2022-10-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Xyn11 double mutant L271S, K275H from Pseudothermotoga thermarum
To be published
8BR4
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BU of 8br4 by Molmil
Structure of GAPDH from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kumar, A, Karthikeyan, S.
Deposit date:2022-11-22
Release date:2023-11-01
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structure of GAPDH from Mycobacterium tuberculosis
To Be Published
2OFW
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BU of 2ofw by Molmil
Crystal structure of the APSK domain of human PAPSS1 complexed with 2 APS molecules
Descriptor: ADENOSINE-5'-PHOSPHOSULFATE, APS kinase domain of the PAPS synthetase 1, MAGNESIUM ION
Authors:Sekulic, N, Lavie, A.
Deposit date:2007-01-04
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Elucidation of the Active Conformation of the APS-Kinase Domain of Human PAPS Synthetase 1.
J.Mol.Biol., 367, 2007
6F0C
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BU of 6f0c by Molmil
Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation
Descriptor: (3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione, Cytochrome P450 monooxygenase, OXYGEN MOLECULE, ...
Authors:Fulop, V.
Deposit date:2017-11-17
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC.
J.Am.Chem.Soc., 141, 2019
6F2K
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BU of 6f2k by Molmil
Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM potassium phosphate monobasic.
Descriptor: CHLORIDE ION, Lysozyme C, TERBIUM(III) ION
Authors:Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
2HG2
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BU of 2hg2 by Molmil
Structure of Lactaldehyde Dehydrogenase
Descriptor: Aldehyde dehydrogenase A, SULFATE ION
Authors:Di Costanzo, L, Gomez, G.A, Christianson, D.W.
Deposit date:2006-06-26
Release date:2007-05-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of lactaldehyde dehydrogenase from Escherichia coli and inferences regarding substrate and cofactor specificity
J.Mol.Biol., 366, 2007
2XB8
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BU of 2xb8 by Molmil
Structure of Mycobacterium tuberculosis type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3- dehydroquinic acid
Descriptor: (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ...
Authors:Otero, J.M, Tizon, L, Llamas-Saiz, A.L, Fox, G.C, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2010-04-08
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids.
Chemmedchem, 5, 2010
4ENL
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BU of 4enl by Molmil
CRYSTAL STRUCTURE OF HOLOENZYME REFINED AT 1.9 ANGSTROMS RESOLUTION: TRIGONAL-BIPYRAMIDAL GEOMETRY OF THE CATION BINDING SITE
Descriptor: ENOLASE, SULFATE ION, ZINC ION
Authors:Lebioda, L, Stec, B.
Deposit date:1990-11-13
Release date:1992-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Holoenzyme Refined at 1.9 Angstroms Resolution: Trigonal-Bipyramidal Geometry of the Cation Binding Site
J.Am.Chem.Soc., 111, 1989
7ADD
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BU of 7add by Molmil
Transcription termination intermediate complex IIIa
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ...
Authors:Said, N, Hilal, T, Loll, B, Wahl, C.M.
Deposit date:2020-09-14
Release date:2020-11-25
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
6F0A
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BU of 6f0a by Molmil
Crystal structure of human indoleamine 2,3-dioxygenase bound to a triazole inhibitor and alanine molecule.
Descriptor: ALANINE, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Swan, M.K, Latchem, M.
Deposit date:2017-11-17
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:New 4-Amino-1,2,3-Triazole Inhibitors of Indoleamine 2,3-Dioxygenase Form a Long-Lived Complex with the Enzyme and Display Exquisite Cellular Potency.
Chembiochem, 19, 2018
6ZRD
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BU of 6zrd by Molmil
STRUCTURE OF THE HUMAN RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines
Descriptor: 1,3,5-trimethylbenzene, Histone-binding protein RBBP4, macrocyclic peptide based on residues 659-672 of the metastasis-associated protein MTA1
Authors:Vetter, I.R, Porfetye, A.T.
Deposit date:2020-07-13
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure Based Design of Bicyclic Peptide Inhibitors of RbAp48.
Angew.Chem.Int.Ed.Engl., 60, 2021
2XKS
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BU of 2xks by Molmil
Prion-like conversion during amyloid formation at atomic resolution
Descriptor: BETA-2-MICROGLOBULIN
Authors:Eichner, T, Kalverda, A.P, Thompson, G.S, Radford, S.E, Homans, S.W.
Deposit date:2010-07-12
Release date:2011-02-16
Last modified:2020-01-15
Method:SOLUTION NMR
Cite:Conformational Conversion During Amyloid Formation at Atomic Resolution.
Mol.Cell, 41, 2011
6F1G
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BU of 6f1g by Molmil
The structure of AbnB-E201A, an intracellular 1,5-alpha-L-arabinanase from Geobacillus stearothermophilus, in complex with arabinopentaose
Descriptor: CALCIUM ION, Intracellular endo-alpha-(1->5)-L-arabinanase, SULFATE ION, ...
Authors:Lansky, S, Shwartshtien, O, Salama, R, Shoham, Y, Shoham, G.
Deposit date:2017-11-21
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.672 Å)
Cite:The structure of AbnB-E201A, an intracellular 1,5-alpha-L-arabinanase from Geobacillus stearothermophilus, in complex with arabinopentaose
To Be Published
6ZTQ
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BU of 6ztq by Molmil
Cryo-EM structure of respiratory complex I from Mus musculus inhibited by piericidin A at 3.0 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J.
Deposit date:2020-07-20
Release date:2020-10-21
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
6F1X
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BU of 6f1x by Molmil
Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative)
Descriptor: 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
2HKR
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BU of 2hkr by Molmil
Structures of the carbinolamine and schiff-base intermediates in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with p-methoxyphenylethylamine
Descriptor: 2-(4-METHOXYPHENYL)ACETAMIDE, 2-(4-METHOXYPHENYL)ETHANAMINE, Aromatic amine dehydrogenase, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-07-05
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase
To be Published
7A2B
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BU of 7a2b by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q207D
Descriptor: MAGNESIUM ION, R-specific alcohol dehydrogenase
Authors:Bischoff, D, Hermann, J, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-08-17
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
5QUE
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BU of 5que by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUH
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BU of 5quh by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 2 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUF
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BU of 5quf by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUD
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BU of 5qud by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 5 minutes at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUG
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BU of 5qug by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 1 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published

225399

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