5DQ4
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8BL2
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![BU of 8bl2 by Molmil](/molmil-images/mine/8bl2) | Structure of GroEL-ATP complex plunge frozen 200 ms after reaction initiation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperonin GroEL, MAGNESIUM ION, ... | Authors: | Dhurandhar, M, Torino, S, Efremov, R. | Deposit date: | 2022-11-09 | Release date: | 2023-08-09 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Time-resolved cryo-EM using a combination of droplet microfluidics with on-demand jetting. Nat.Methods, 20, 2023
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8BM0
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![BU of 8bm0 by Molmil](/molmil-images/mine/8bm0) | Structure of GroEL:GroES-ATP complex plunge frozen 200 ms after reaction initiation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperonin GroEL, Co-chaperonin GroES, ... | Authors: | Dhurandhar, M, Torino, S, Efremov, R. | Deposit date: | 2022-11-10 | Release date: | 2023-08-09 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Time-resolved cryo-EM using a combination of droplet microfluidics with on-demand jetting. Nat.Methods, 20, 2023
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5DQ1
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![BU of 5dq1 by Molmil](/molmil-images/mine/5dq1) | Endothiapepsin in complex with fragment 34 | Descriptor: | 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | Deposit date: | 2015-09-14 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.489 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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1WQL
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![BU of 1wql by Molmil](/molmil-images/mine/1wql) | Cumene dioxygenase (cumA1A2) from Pseudomonas fluorescens IP01 | Descriptor: | FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, OXYGEN MOLECULE, ... | Authors: | Dong, X, Fushinobu, S, Fukuda, E, Terada, T, Nakamura, S, Shimizu, K, Nojiri, H, Omori, T, Shoun, H, Wakagi, T. | Deposit date: | 2004-09-30 | Release date: | 2005-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Terminal Oxygenase Component of Cumene Dioxygenase from Pseudomonas fluorescens IP01 J.BACTERIOL., 187, 2005
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5HWY
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![BU of 5hwy by Molmil](/molmil-images/mine/5hwy) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and zero Ca2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, PENTADECANE, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-01-29 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger Nat.Struct.Mol.Biol., 23, 2016
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5DR8
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![BU of 5dr8 by Molmil](/molmil-images/mine/5dr8) | Endothiapepsin in complex with fragment 330 | Descriptor: | 2-chlorobenzohydrazide, ACETATE ION, Endothiapepsin, ... | Authors: | Heine, A, Knoerlein, A, Schiebel, J, Klebe, G. | Deposit date: | 2015-09-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4K2N
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![BU of 4k2n by Molmil](/molmil-images/mine/4k2n) | Crystal structure of an enoyl-CoA hydratase/ carnithine racemase from Magnetospirillum magneticum | Descriptor: | Enoyl-CoA hydratase/carnithine racemase | Authors: | Eswaramoorthy, S, Chamala, S, Evans, B, Foti, F, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-09 | Release date: | 2013-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of an enoyl-CoA hydratase/ carnithine racemase from Magnetospirillum magneticum To be Published
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3EN1
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![BU of 3en1 by Molmil](/molmil-images/mine/3en1) | Crystal structure of Toluene 2,3-Dioxygenase | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Benzene 1,2-dioxygenase subunit alpha, Benzene 1,2-dioxygenase subunit beta, ... | Authors: | Friemann, R, Lee, K, Brown, E.N, Gibson, D.T, Eklund, H, Ramaswamy, S. | Deposit date: | 2008-09-25 | Release date: | 2009-03-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of the multicomponent Rieske non-heme iron toluene 2,3-dioxygenase enzyme system Acta Crystallogr.,Sect.D, 65, 2009
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4WTY
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![BU of 4wty by Molmil](/molmil-images/mine/4wty) | Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate | Descriptor: | CHLORIDE ION, GLYCEROL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ... | Authors: | Bruder, L.M, Mosimann, S.C. | Deposit date: | 2014-10-30 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate To Be Published
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5HYA
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![BU of 5hya by Molmil](/molmil-images/mine/5hya) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchangerNCX_Mj soaked with 150 mM Na+ and nominal Ca2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, CALCIUM ION, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-02-01 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger Nat.Struct.Mol.Biol., 23, 2016
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4KPK
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![BU of 4kpk by Molmil](/molmil-images/mine/4kpk) | Crystal structure of a enoyl-CoA hydratase from Shewanella pealeana ATCC 700345 | Descriptor: | 1,2-ETHANEDIOL, Enoyl-CoA hydratase/isomerase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-05-13 | Release date: | 2013-05-22 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of a enoyl-CoA hydratase from Shewanella pealeana ATCC 700345 To be Published
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2YB4
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![BU of 2yb4 by Molmil](/molmil-images/mine/2yb4) | Structure of an amidohydrolase from Chromobacterium violaceum (EFI target EFI-500202) with bound SO4, no metal | Descriptor: | AMIDOHYDROLASE, SULFATE ION | Authors: | Vetting, M.W, Hillerich, B, Foti, R, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-03-01 | Release date: | 2011-03-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Prospecting for Unannotated Enzymes: Discovery of a 3',5'-Nucleotide Bisphosphate Phosphatase within the Amidohydrolase Superfamily. Biochemistry, 53, 2014
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4KD6
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![BU of 4kd6 by Molmil](/molmil-images/mine/4kd6) | Crystal structure of a Enoyl-CoA hydratase/isomerase from Burkholderia graminis C4D1M | Descriptor: | Enoyl-CoA hydratase/isomerase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-24 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of a Enoyl-CoA hydratase/isomerase from Burkholderia graminis C4D1M To be Published
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5DR3
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![BU of 5dr3 by Molmil](/molmil-images/mine/5dr3) | Endothiapepsin in complex with fragment 333 | Descriptor: | 1,2-ETHANEDIOL, 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-09-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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5HWX
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![BU of 5hwx by Molmil](/molmil-images/mine/5hwx) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and zero Ca2+ | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, PENTADECANE, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-01-29 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger Nat.Struct.Mol.Biol., 23, 2016
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5HXC
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![BU of 5hxc by Molmil](/molmil-images/mine/5hxc) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 20 mM Na+ and zero Ca2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CALCIUM ION, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-01-30 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger Nat.Struct.Mol.Biol., 23, 2016
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5HXE
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![BU of 5hxe by Molmil](/molmil-images/mine/5hxe) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 100 mM Na+ and zero Ca2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-01-30 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.288 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger Nat.Struct.Mol.Biol., 23, 2016
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5HXS
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![BU of 5hxs by Molmil](/molmil-images/mine/5hxs) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 10mM Sr2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, PENTADECANE, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-01-31 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.789 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger Nat.Struct.Mol.Biol., 23, 2016
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5EPY
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![BU of 5epy by Molmil](/molmil-images/mine/5epy) | Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-mcP1P3 (MK-5172 P1-P3 macrocyclic analogue) | Descriptor: | 2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, NS3 protease, SULFATE ION, ... | Authors: | Soumana, D.I, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | Deposit date: | 2015-11-12 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. Acs Chem.Biol., 11, 2016
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5HXR
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![BU of 5hxr by Molmil](/molmil-images/mine/5hxr) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 10mM Ca2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, PENTADECANE, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-01-31 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.463 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger Nat.Struct.Mol.Biol., 23, 2016
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8HI2
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![BU of 8hi2 by Molmil](/molmil-images/mine/8hi2) | |
4WU2
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![BU of 4wu2 by Molmil](/molmil-images/mine/4wu2) | Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,4,5)-trikisphosphate | Descriptor: | CHLORIDE ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Bruder, L.M, Mosimann, S.C. | Deposit date: | 2014-10-30 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,4,5)-trikisphosphate To Be Published
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5ISK
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![BU of 5isk by Molmil](/molmil-images/mine/5isk) | |
5IKI
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![BU of 5iki by Molmil](/molmil-images/mine/5iki) | CYP106A2 WITH SUBSTRATE ABIETIC ACID | Descriptor: | Abietic acid, Cytochrome P450(MEG), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Janocha, S, Carius, Y, Bernhardt, R, Lancaster, C.R.D. | Deposit date: | 2016-03-03 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of CYP106A2 in Substrate-Free and Substrate-Bound Form. Chembiochem, 17, 2016
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