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6CYI
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BU of 6cyi by Molmil
Grp94 N-domain bound to NEOCA
Descriptor: 5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE, Endoplasmin, TETRAETHYLENE GLYCOL, ...
Authors:Huck, J.D, Aw, W.J, Gewirth, D.T.
Deposit date:2018-04-05
Release date:2019-04-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7565825 Å)
Cite:NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90.
J.Biol.Chem., 294, 2019
2W0B
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BU of 2w0b by Molmil
CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}PROPYL PYRIDIN-4-YLCARBAMATE
Descriptor: 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M.
Deposit date:2008-08-12
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Trypanosoma cruzi CYP51 inhibitor derived from a Mycobacterium tuberculosis screen hit.
Plos Negl Trop Dis, 3, 2009
2WF5
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BU of 2wf5 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and trifluoromagnesate
Descriptor: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Bowler, M.W, Baxter, N.J, Webster, C.E, Hounslow, A.M, Cliff, M.J, Williams, N.H, Hollfelder, F, Gamblin, S, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-04-03
Release date:2009-09-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
5M32
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BU of 5m32 by Molmil
Human 26S proteasome in complex with Oprozomib
Descriptor: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
Authors:Haselbach, D, Schrader, J, Lambrecht, F, Henneberg, F, Chari, A, Stark, H.
Deposit date:2016-10-14
Release date:2017-07-05
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Long-range allosteric regulation of the human 26S proteasome by 20S proteasome-targeting cancer drugs.
Nat Commun, 8, 2017
7MD7
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BU of 7md7 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with triphenylphosphonium analog of chloramphenicol CAM-C4-TPP and protein Y (YfiA) at 2.80A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Chen, C.-W, Pavlova, J.A, Lukianov, D.A, Tereshchenkov, A.G, Makarov, G.I, Khairullina, Z.Z, Tashlitsky, V.N, Paleskava, A, Konevega, A.L, Bogdanov, A.A, Osterman, I.A, Sumbatyan, N.V, Polikanov, Y.S.
Deposit date:2021-04-03
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding and Action of Triphenylphosphonium Analog of Chloramphenicol upon the Bacterial Ribosome.
Antibiotics, 10, 2021
3J3Q
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BU of 3j3q by Molmil
Atomic-level structure of the entire HIV-1 capsid
Descriptor: capsid protein
Authors:Perilla, J.R, Zhao, G, Zhang, P, Schulten, K.J.
Deposit date:2013-04-12
Release date:2013-05-29
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
3J3Y
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BU of 3j3y by Molmil
Atomic-level structure of the entire HIV-1 capsid (186 hexamers + 12 pentamers)
Descriptor: capsid protein
Authors:Perilla, J.R, Zhao, G, Zhang, P, Schulten, K.J.
Deposit date:2013-05-06
Release date:2013-05-29
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
7EZX
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BU of 7ezx by Molmil
Structure of the phycobilisome from the red alga Porphyridium purpureum in Middle Light
Descriptor: Allophycocyanin alpha subunit, Allophycocyanin beta 18 subunit, Allophycocyanin beta subunit, ...
Authors:Ma, J.F, Sui, S.-F.
Deposit date:2021-06-02
Release date:2022-09-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The structural basis for light acclimation in phycobilisome light harvesting systems systems in Porphyridium purpureum
Commun Biol, 6, 2023
1N2G
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BU of 1n2g by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2E
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BU of 1n2e by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP and pantoate
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2J
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BU of 1n2j by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with pantoate
Descriptor: BETA-ALANINE, ETHANOL, GLYCEROL, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
8UDZ
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BU of 8udz by Molmil
The Structure of LTBP-49247 Fab Bound to TGFbeta1 Small Latent Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LTBP-49247 Fab Heavy Chain, LTBP-49247 Fab Light Chain, ...
Authors:Streich Jr, F.C, Nicholls, S.B, Boston, C.J, Ramachandran, S.
Deposit date:2023-09-29
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:An antibody that inhibits TGF-beta 1 release from latent extracellular matrix complexes attenuates the progression of renal fibrosis.
Sci.Signal., 17, 2024
5TGM
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BU of 5tgm by Molmil
Crystal structure of the S.cerevisiae 80S ribosome in complex with the A-site bound aminoacyl-tRNA analog ACCA-Pro
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), ...
Authors:Melnikov, S, Mailliot, J, Yusupov, M.
Deposit date:2016-09-28
Release date:2017-01-18
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular insights into protein synthesis with proline residues.
EMBO Rep., 17, 2016
1N2H
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BU of 1n2h by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate
Descriptor: ETHANOL, GLYCEROL, MANGANESE (II) ION, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1MOP
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BU of 1mop by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis
Descriptor: ETHANOL, GLYCEROL, SULFATE ION, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-09-09
Release date:2003-03-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of a Pantothenate Synthetase from M. tuberculosis and its Complexes with Substrates and a Reaction Intermediate
Protein Sci., 12, 2003
1N2B
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BU of 1n2b by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP and pantoate, higher occupancy of pantoate and lower occupancy of AMPCPP in subunit A
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2O
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BU of 1n2o by Molmil
Crystal Structure of Pantothenate Synthetase from M. tuberculosis, low occupancy of beta-alanine at the pantoate binding sites
Descriptor: BETA-ALANINE, SULFATE ION, pantothenate synthetase
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-23
Release date:2003-04-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
4YRT
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BU of 4yrt by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(5-hydroxynaphthalen-2-yl)propanamide (Chem 1781)
Descriptor: 1,2-ETHANEDIOL, HISTIDINE, Histidyl-tRNA synthetase, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4LRN
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BU of 4lrn by Molmil
Ontogeny of recognition specificity and functionality for the anti-HIV antibody 4E10
Descriptor: GEP 1 heavy chain, GEP 1 light chain
Authors:Finton, K.A.K.
Deposit date:2013-07-20
Release date:2014-10-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.
Plos Pathog., 10, 2014
5F1S
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BU of 5f1s by Molmil
Crystal structure of the teleost fish polymeric Ig receptor (pIgR) ectodomain
Descriptor: polymeric Immunoglobulin Receptor
Authors:Stadtmueller, B.M, Bjorkman, P.J.
Deposit date:2015-11-30
Release date:2016-03-16
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:The structure and dynamics of secretory component and its interactions with polymeric immunoglobulins.
Elife, 5, 2016
4OB5
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BU of 4ob5 by Molmil
Ontogeny of recognition specificity and functionality for the broadly neutralizing anti-HIV antibody 4E10
Descriptor: 4E10 antibody germline precursor 7 heavy chain Fv, 4E10 antibody germline precursor 7 light chain Fv, GLYCEROL, ...
Authors:Jaffe, J.B, Rupert, P.B.
Deposit date:2014-01-06
Release date:2014-10-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.
Plos Pathog., 10, 2014
6WRL
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BU of 6wrl by Molmil
The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 week
Descriptor: ACETATE ION, Lysozyme, Rhodium, ...
Authors:Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-04-29
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
1Y6W
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BU of 1y6w by Molmil
Trapped intermediate of calmodulin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin, ...
Authors:Grabarek, Z.
Deposit date:2004-12-07
Release date:2005-03-01
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a Trapped Intermediate of Calmodulin: Calcium Regulation of EF-hand Proteins from a New Perspective.
J.Mol.Biol., 346, 2005
6WRM
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BU of 6wrm by Molmil
The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 month
Descriptor: (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium, CHLORIDE ION, Lysozyme, ...
Authors:Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-04-29
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
1Y21
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BU of 1y21 by Molmil
Crystal Structure of Cimex Nitrophorin NO Complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Weichsel, A, Maes, E.M, Andersen, J.F, Valenzuela, J.G, Shokhireva, T.K, Walker, F.A, Montfort, W.R.
Deposit date:2004-11-19
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Heme-assisted S-nitrosation of a proximal thiolate in a nitric oxide transport protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005

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