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7TNF
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BU of 7tnf by Molmil
The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid
Descriptor: CHLORIDE ION, Cytochrome P450, MAGNESIUM ION, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-21
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7TNU
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BU of 7tnu by Molmil
The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid
Descriptor: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-21
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
3V7U
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BU of 3v7u by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with MTA
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CITRIC ACID, GLYCEROL, ...
Authors:Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
Deposit date:2011-12-22
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
3V8N
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BU of 3v8n by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 8-bromo-5'-amino-5'-deoxyadenosine, reacted with a citrate molecule in N site
Descriptor: 5'-amino-8-bromo-5'-deoxyadenosine, 8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine, CITRIC ACID, ...
Authors:Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
Deposit date:2011-12-23
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3801 Å)
Cite:Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
4FDN
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BU of 4fdn by Molmil
Mycobacterium tuberculosis DprE1 in complex with CT325 - hexagonal crystal form
Descriptor: 3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1
Authors:Batt, S.M, Besra, G.S, Futterer, K.
Deposit date:2012-05-29
Release date:2012-07-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
3V8R
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BU of 3v8r by Molmil
Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with 5'-amino-8-bromo-5'-deoxyadenosine
Descriptor: 5'-amino-8-bromo-5'-deoxyadenosine, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1
Authors:Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
Deposit date:2011-12-23
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
5IPR
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BU of 5ipr by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 3
Descriptor: Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
Deposit date:2016-03-09
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (14.1 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
5ZB2
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BU of 5zb2 by Molmil
Crystal structure of Rad7 and Elc1 complex in yeast
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
Authors:Jiang, T, Liu, L, Huo, Y.
Deposit date:2018-02-09
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.30000544 Å)
Cite:Crystal structure of the yeast Rad7-Elc1 complex and assembly of the Rad7-Rad16-Elc1-Cul3 complex.
DNA Repair (Amst.), 77, 2019
5IPQ
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BU of 5ipq by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 2
Descriptor: Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
Deposit date:2016-03-09
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (13.5 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
5W9S
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BU of 5w9s by Molmil
Zinc finger of human CXXC5 in complex with CpG DNA
Descriptor: CXXC-type zinc finger protein 5, CpG DNA fragment, SULFATE ION, ...
Authors:Liu, K, Xu, C, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-06-23
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
3I6A
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BU of 3i6a by Molmil
Human GST A1-1 GIMF mutant with Glutathione
Descriptor: GLUTATHIONE, Glutathione S-transferase A1
Authors:Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M.
Deposit date:2009-07-06
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009
2IVV
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BU of 2ivv by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with the inhibitor PP1
Descriptor: 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET PRECURSOR
Authors:Knowles, P.P, Murray-Rust, J, McDonald, N.Q.
Deposit date:2006-06-16
Release date:2006-08-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure and chemical inhibition of the RET tyrosine kinase domain.
J. Biol. Chem., 281, 2006
4FWU
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BU of 4fwu by Molmil
Crystal structure of glutaminyl cyclase from drosophila melanogaster in space group I4
Descriptor: 1,2-ETHANEDIOL, CG32412, SULFATE ION, ...
Authors:Kolenko, P, Koch, B, Stubbs, M.T.
Deposit date:2012-07-02
Release date:2012-09-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of glutaminyl cyclase from Drosophila melanogaster in space group I4.
Acta Crystallogr.,Sect.F, 69, 2013
5IOU
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BU of 5iou by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the glutamate/glycine-bound conformation
Descriptor: GLUTAMIC ACID, GLYCINE, Ionotropic glutamate receptor subunit NR2B, ...
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
Deposit date:2016-03-09
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
5IPU
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BU of 5ipu by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 6
Descriptor: Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
Deposit date:2016-03-09
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (15.4 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
4FSL
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BU of 4fsl by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-DB-MUT) complex with N-(N-(4- acetamido-3-chloro-5-methylbenzyl)carbamimidoyl)-3-(4- methoxyphenyl)-5-methyl-4-isothiazolecarboxamide
Descriptor: Beta-secretase 1, IODIDE ION, N-{N-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
Authors:Muckelbauer, J.K.
Deposit date:2012-06-27
Release date:2012-10-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Acyl Guanidine Inhibitors of beta-Secretase (BACE-1): Optimization of a Micromolar Hit to a Nanomolar Lead via Iterative Solid- and Solution-Phase Library Synthesis
J.Med.Chem., 55, 2012
4BLC
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BU of 4blc by Molmil
THE STRUCTURE OF ORTHORHOMBIC CRYSTALS OF BEEF LIVER CATALASE
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (CATALASE), PROTOPORPHYRIN IX CONTAINING FE
Authors:Ko, T.P, Day, J, Malkin, A, McPherson, A.
Deposit date:1998-09-27
Release date:1998-10-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of orthorhombic crystals of beef liver catalase.
Acta Crystallogr.,Sect.D, 55, 1999
1VEB
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BU of 1veb by Molmil
Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5
Descriptor: (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
Authors:Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B.
Deposit date:2004-03-29
Release date:2005-03-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
2ZTI
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BU of 2zti by Molmil
Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes
Descriptor: MANGANESE (II) ION, NTPASE
Authors:Lokanath, N.K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-10-06
Release date:2008-10-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes
J.Mol.Biol., 375, 2008
2FPG
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BU of 2fpg by Molmil
Crystal structure of pig GTP-specific succinyl-CoA synthetase in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Fraser, M.E.
Deposit date:2006-01-16
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Interactions of GTP with the ATP-grasp Domain of GTP-specific Succinyl-CoA Synthetase
J.Biol.Chem., 281, 2006
8IJN
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BU of 8ijn by Molmil
Bovine Heart Cytochrome c Oxidase in the Nitric Oxide-Bound Fully Reduced State at 100 K
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Tsukihara, T, Shimada, A, Muramoto, K.
Deposit date:2023-02-27
Release date:2023-04-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bovine cytochrome c oxidase structures enable O2 reduction with minimization of reactive oxygens and provide a proton-pumping gate.
Proc.Natl.Acad.Sci.USA, 107, 2010
7L1A
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BU of 7l1a by Molmil
Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor, di-imido triphosphate (PNPNP)
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, MAGNESIUM ION, ...
Authors:Niland, C.N, Fedorov, E, Schramm, V.L, Ghosh, A.
Deposit date:2020-12-14
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Mechanism and Inhibition of Human Methionine Adenosyltransferase 2A.
Biochemistry, 60, 2021
5T71
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BU of 5t71 by Molmil
Human carboanhydrase F131C_C206S double mutant in complex with SA-2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-diazenyl]benzene-1-sulfonamide, ...
Authors:DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J.
Deposit date:2016-09-02
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity.
ACS Chem. Biol., 13, 2018
3LGW
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BU of 3lgw by Molmil
H198P/T167V double mutant of DegS-deltaPDZ protease
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
7TXF
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BU of 7txf by Molmil
The allosteric binding mode of alphaD-conotoxin VxXXB
Descriptor: Acetylcholine-binding protein, Alpha-conotoxin VxXXB
Authors:Ho, T.N.T, Abraham, N, Lewis, R.J.
Deposit date:2022-02-09
Release date:2023-04-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Unravelling the allosteric binding mode of alpha D-VxXXB at nicotinic acetylcholine receptors.
Front Pharmacol, 14, 2023

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