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PDB: 42439 results

6X4Y
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Mfd-bound E.coli RNA polymerase elongation complex - IV state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A.
Deposit date:2020-05-24
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for transcription complex disruption by the Mfd translocase.
Elife, 10, 2021
8QIS
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CrPhotLOV1 light state structure 72.5 ms (70-75 ms) after illumination determined by time-resolved serial synchrotron crystallography at room temperature
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 2024
8QIK
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CrPhotLOV1 light state structure 32.5 ms (30-35 ms) after illumination determined by time-resolved serial synchrotron crystallography at room temperature
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 2024
1A8K
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BU of 1a8k by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE WITH AN ANALOG OF THE CONSERVED CA-P2 SUBSTRATE: INTERACTIONS WITH FREQUENTLY OCCURRING GLUTAMIC ACID RESIDUE AT P2' POSITION OF SUBSTRATES
Descriptor: HIV PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Authors:Weber, I.T, Wu, J, Adomat, J, Harrison, R.W, Kimmel, A.R, Wondrak, E.M, Louis, J.M.
Deposit date:1998-03-27
Release date:1999-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic analysis of human immunodeficiency virus 1 protease with an analog of the conserved CA-p2 substrate -- interactions with frequently occurring glutamic acid residue at P2' position of substrates.
Eur.J.Biochem., 249, 1997
8QIM
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BU of 8qim by Molmil
CrPhotLOV1 light state structure 42.5 ms (40-45 ms) after illumination determined by time-resolved serial synchrotron crystallography at room temperature
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 2024
6X50
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BU of 6x50 by Molmil
Mfd-bound E.coli RNA polymerase elongation complex - V state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Llewelyn, E, Chen, J, Kang, J.Y, Darst, S.A.
Deposit date:2020-05-24
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for transcription complex disruption by the Mfd translocase.
Elife, 10, 2021
8QIG
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BU of 8qig by Molmil
CrPhotLOV1 light state structure 17.5 ms (15-20 ms) after illumination determined by time-resolved serial synchrotron crystallography at room temperature
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 2024
8FWA
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BU of 8fwa by Molmil
Phycocyanin structure from a modular droplet injector for serial femtosecond crystallography
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN, ...
Authors:Botha, S, Doppler, D.L, Sonker, M, Egatz-Gomez, A, Grieco, A, Zaare, S, Jernigan, R, Meza-Aguilar, J.D, Rabbani, M.T, Manna, A, Alvarez, R, Karpos, K, Cruz Villarreal, J, Nelson, G, Ketawala, G.K, Pey, A.L, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Nazari, R, Sierra, R, Hunter, M.S, Batyuk, A, Kupitz, C.J, Sublett, R.E, Lisova, S, Mariani, V, Boutet, S, Fromme, R, Grant, T.D, Fromme, P, Kirian, R.A, Martin-Garcia, J.M, Ros, A.
Deposit date:2023-01-20
Release date:2023-06-28
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
8A12
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BU of 8a12 by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Moussaoui, D, Robblee, J.P, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
Deposit date:2022-05-31
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
8QIF
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BU of 8qif by Molmil
CrPhotLOV1 light state structure 12.5 ms (10-15 ms) after illumination determined by time-resolved serial synchrotron crystallography at room temperature
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 2024
8QIV
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BU of 8qiv by Molmil
CrPhotLOV1 light state structure 87.5 ms (85-90 ms) after illumination determined by time-resolved serial synchrotron crystallography at room temperature
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 2024
6Q6O
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BU of 6q6o by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
5KCD
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BU of 5kcd by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl Substituted OBHS-N derivative
Descriptor: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
6X26
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BU of 6x26 by Molmil
Mfd-bound E.coli RNA polymerase elongation complex - L1 state
Descriptor: DNA (64-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A.
Deposit date:2020-05-20
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for transcription complex disruption by the Mfd translocase.
Elife, 10, 2021
6X43
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BU of 6x43 by Molmil
Mfd-bound E.coli RNA polymerase elongation complex - II state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A.
Deposit date:2020-05-22
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for transcription complex disruption by the Mfd translocase.
Elife, 10, 2021
1B9G
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BU of 1b9g by Molmil
INSULIN-LIKE-GROWTH-FACTOR-1
Descriptor: PROTEIN (GROWTH FACTOR IGF-1)
Authors:De Wolf, E, Gill, R, Geddes, S, Pitts, J, Wollmer, A, Grotzinger, J.
Deposit date:1999-02-11
Release date:1999-02-23
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of a mini IGF-1.
Protein Sci., 5, 1996
5KCF
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BU of 5kcf by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative
Descriptor: (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ...
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5KCT
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BU of 5kct by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-chlorobenzyl OBHS-N derivative
Descriptor: (1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ...
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-07
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
6NB5
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BU of 6nb5 by Molmil
Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment
Descriptor: LCA60 antigen-binding (Fab) fragment, heavy chain, light chain
Authors:Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-06
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
6Q7H
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BU of 6q7h by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2018-12-13
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
1AUV
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BU of 1auv by Molmil
STRUCTURE OF THE C DOMAIN OF SYNAPSIN IA FROM BOVINE BRAIN
Descriptor: SYNAPSIN IA
Authors:Esser, L, Wang, C, Deisenhofer, J.
Deposit date:1997-09-02
Release date:1998-03-18
Last modified:2012-02-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Synapsin I is structurally similar to ATP-utilizing enzymes.
EMBO J., 17, 1998
8FEF
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BU of 8fef by Molmil
Structure of Mce1 transporter from Mycobacterium smegmatis (Map0)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FED
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BU of 8fed by Molmil
Structure of Mce1-LucB complex from Mycobacterium smegmatis (Map1)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FEE
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BU of 8fee by Molmil
Structure of Mce1 transporter from Mycobacterium smegmatis in the absence of LucB (Map2)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8QKB
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BU of 8qkb by Molmil
Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2023-09-14
Release date:2023-09-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024

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