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4X6Y
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BU of 4x6y by Molmil
Human soluble epoxide hydrolase in complex with a cyclopropyl urea derivative
Descriptor: 4-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Bifunctional epoxide hydrolase 2
Authors:Chiyo, N, Takai, K, Ishii, T.
Deposit date:2014-12-09
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
2W6J
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BU of 2w6j by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 5.
Descriptor: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
Authors:Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
Deposit date:2008-12-18
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.84 Å)
Cite:Improving diffraction by humidity control: a novel device compatible with X-ray beamlines.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
3BI3
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BU of 3bi3 by Molmil
X-ray structure of AlkB protein bound to dsDNA containing 1meA/A with cofactors
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, DNA (5'-D(*DAP*DAP*DCP*DGP*DGP*DTP*DAP*DTP*DTP*DAP*DCP*DCP*DT)-3'), ...
Authors:Yi, C, Yang, C.-G.
Deposit date:2007-11-29
Release date:2008-04-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA.
Nature, 452, 2008
4XD7
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BU of 4xd7 by Molmil
Structure of thermophilic F1-ATPase inhibited by epsilon subunit
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ...
Authors:SHIRAKIHARA, Y, SHIRATORI, A, TANIKAWA, H, NAKASAKO, M, YOSHIDA, M, SUZUKI, T.
Deposit date:2014-12-19
Release date:2015-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structure of a thermophilic F1 -ATPase inhibited by an epsilon-subunit: deeper insight into the epsilon-inhibition mechanism.
Febs J., 282, 2015
4XLN
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BU of 4xln by Molmil
Crystal structure of T. aquaticus transcription initiation complex containing bubble promoter and RNA
Descriptor: DNA (48-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of a bacterial RNA polymerase holoenzyme open promoter complex.
Elife, 4, 2015
3H1I
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BU of 3h1i by Molmil
Stigmatellin and antimycin bound cytochrome bc1 complex from chicken
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-7-YL ESTER, CARDIOLIPIN, ...
Authors:Zhang, Z, Huang, L, Shulmeister, V.M, Chi, Y.I, Kim, K.K, Hung, L.W, Crofts, A.R, Berry, E.A, Kim, S.H.
Deposit date:2009-04-12
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Electron Transfer by Domain Movement in Cytochrome Bc1
Nature, 392, 1998
3H1J
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BU of 3h1j by Molmil
Stigmatellin-bound cytochrome bc1 complex from chicken
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ...
Authors:Zhang, Z, Huang, L, Shulmeister, V.M, Chi, Y.-I, Kim, K.K, Hung, L.-W, Crofts, A.R, Berry, E.A, Kim, S.-H.
Deposit date:2009-04-12
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Electron Transfer by Domain Movement in Cytochrome Bc1
Nature, 392, 1998
4XLQ
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BU of 4xlq by Molmil
Crystal structure of T.aquaticus transcription initiation complex containing upstream fork (-11 base-paired) promoter
Descriptor: DNA (26-MER), DNA (30-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:Structure of a bacterial RNA polymerase holoenzyme open promoter complex.
Elife, 4, 2015
4XRY
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BU of 4xry by Molmil
Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex
Descriptor: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Johnson, E.F, Fan, Y.
Deposit date:2015-01-21
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
4R20
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BU of 4r20 by Molmil
Zebra fish cytochrome P450 17A2 with Abiraterone
Descriptor: Abiraterone, Cytochrome P450 family 17 polypeptide 2, MERCURY (II) ION, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2014-08-08
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural and Kinetic Basis of Steroid 17 alpha, 20-Lyase Activity in Teleost Fish Cytochrome P450 17A1 and Its Absence in Cytochrome P450 17A2.
J.Biol.Chem., 290, 2015
2W6F
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BU of 2w6f by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 2.
Descriptor: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
Authors:Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
Deposit date:2008-12-18
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (6 Å)
Cite:Improving diffraction by humidity control: a novel device compatible with X-ray beamlines.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
5TDT
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BU of 5tdt by Molmil
Oxygenated toluene intermediate in toluene 4-monooxygenase (T4moHD) after reaction in the crystal
Descriptor: FE (III) ION, PEROXIDE ION, TOLUENE, ...
Authors:Acheson, J.F, Fox, B.G.
Deposit date:2016-09-19
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.818 Å)
Cite:In-crystal reaction cycle of a toluene-bound diiron hydroxylase.
Nature, 544, 2017
5TFT
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BU of 5tft by Molmil
Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex
Descriptor: (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2016-09-26
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
5TDV
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BU of 5tdv by Molmil
Intermediate O2 diiron complex in the Q228A variant of Toluene 4-moonoxygenase (T4moHD)
Descriptor: FE (III) ION, PEROXIDE ION, Toluene-4-monooxygenase system protein A, ...
Authors:Bailey, L.J, Acheson, J.F, Fox, B.G.
Deposit date:2016-09-19
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:In-crystal reaction cycle of a toluene-bound diiron hydroxylase.
Nature, 544, 2017
3GZY
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BU of 3gzy by Molmil
Crystal Structure of the Biphenyl Dioxygenase from Comamonas testosteroni Sp. Strain B-356
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Biphenyl dioxygenase subunit alpha, Biphenyl dioxygenase subunit beta, ...
Authors:Kumar, P, Colbert, C.L, Bolin, J.T.
Deposit date:2009-04-08
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes
Plos One, 8, 2013
5TCO
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BU of 5tco by Molmil
Human p38 MAP Kinase in Complex with Dibenzosuberone Compound 1
Descriptor: 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Mayer-Wrangowski, S.C, Rauh, D.
Deposit date:2016-09-15
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
4G7L
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BU of 4g7l by Molmil
Crystal Structure of rat Heme oxygenase-1 in complex with Heme and O2
Descriptor: FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ...
Authors:Sugishima, M, Moffat, K, Noguchi, M.
Deposit date:2012-07-20
Release date:2012-10-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4G99
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BU of 4g99 by Molmil
Rat Heme Oxygenase-1 in complex with Heme and CO at 100 K after warming to 160 K
Descriptor: CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ...
Authors:Sugishima, M, Moffat, K, Noguchi, M.
Deposit date:2012-07-23
Release date:2012-10-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
3HHS
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BU of 3hhs by Molmil
Crystal Structure of Manduca sexta prophenoloxidase
Descriptor: COPPER (II) ION, Phenoloxidase subunit 1, Phenoloxidase subunit 2
Authors:Li, Y, Wang, Y, Jiang, H, Deng, J.
Deposit date:2009-05-17
Release date:2009-09-29
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of Manduca sexta prophenoloxidase provides insights into the mechanism of type 3 copper enzymes.
Proc.Natl.Acad.Sci.USA, 106, 2009
4XLP
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BU of 4xlp by Molmil
Crystal structure of T.aquaticus transcription initiation complex containing upstream fork promoter
Descriptor: DNA (25-MER), DNA (30-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of a bacterial RNA polymerase holoenzyme open promoter complex.
Elife, 4, 2015
3CC2
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BU of 3cc2 by Molmil
The Refined Crystal Structure of the Haloarcula Marismortui Large Ribosomal Subunit at 2.4 Angstrom Resolution with rrnA Sequence for the 23S rRNA and Genome-derived Sequences for r-Proteins
Descriptor: 23S RIBOSOMAL RNA, 50S ribosomal protein L10E, 50S ribosomal protein L10e, ...
Authors:Gurel, G, Blaha, G.
Deposit date:2008-02-23
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mutations outside the anisomycin-binding site can make ribosomes drug-resistant.
J.Mol.Biol., 379, 2008
3B5U
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BU of 3b5u by Molmil
Actin filament model from extended form of acromsomal bundle in the Limulus sperm
Descriptor: Actin, alpha skeletal muscle
Authors:Cong, Y, Topf, M, Sali, A, Matsudaira, P, Dougherty, M, Chiu, W, Schmid, M.F.
Deposit date:2007-10-26
Release date:2008-04-15
Last modified:2024-02-21
Method:ELECTRON CRYSTALLOGRAPHY (9.5 Å)
Cite:Crystallographic conformers of actin in a biologically active bundle of filaments
J.Mol.Biol., 375, 2008
2WMZ
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BU of 2wmz by Molmil
Structure of a mutated TolC
Descriptor: CHLORIDE ION, OUTER MEMBRANE PROTEIN TOLC, SODIUM ION, ...
Authors:Hinchliffe, P, Pei, X.Y, Symmons, M.F, Koronakis, E, Hughes, C, Koronakis, V.
Deposit date:2009-07-03
Release date:2011-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of Sequential Open States in a Symmetrical Opening Transition of the Tolc Exit Duct.
Proc.Natl.Acad.Sci.USA, 108, 2011
4G8W
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BU of 4g8w by Molmil
Rat Heme Oxygenase-1 in complex with Heme and O2 with 13 hr illumination: Laser on
Descriptor: FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ...
Authors:Sugishima, M, Moffat, K, Noguchi, M.
Deposit date:2012-07-23
Release date:2012-10-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4GJZ
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BU of 4gjz by Molmil
JMJD5 in complex with 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, BETA-MERCAPTOETHANOL, COBALT (II) ION, ...
Authors:Del Rizzo, P.A, Trievel, R.C.
Deposit date:2012-08-10
Release date:2012-09-05
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (1.0481 Å)
Cite:Crystal Structure and Functional Analysis of JMJD5 Indicate an Alternate Specificity and Function.
Mol.Cell.Biol., 32, 2012

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