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4F2A
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BU of 4f2a by Molmil
Crystal structure of cholestryl esters transfer protein in complex with inhibitors
Descriptor: (2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHLORIDE ION, ...
Authors:Liu, S, Qiu, X.
Deposit date:2012-05-07
Release date:2012-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal structures of cholesteryl ester transfer protein in complex with inhibitors.
J.Biol.Chem., 287, 2012
4O4J
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BU of 4o4j by Molmil
Tubulin-Peloruside A complex
Descriptor: CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O.
Deposit date:2013-12-18
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of microtubule stabilization by laulimalide and peloruside A.
Angew.Chem.Int.Ed.Engl., 53, 2014
4O4L
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BU of 4o4l by Molmil
Tubulin-Peloruside A-Epothilone A complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ...
Authors:Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O.
Deposit date:2013-12-18
Release date:2014-03-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of microtubule stabilization by laulimalide and peloruside a.
Angew.Chem.Int.Ed.Engl., 53, 2014
4O4H
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BU of 4o4h by Molmil
Tubulin-Laulimalide complex
Descriptor: CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O.
Deposit date:2013-12-18
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of microtubule stabilization by laulimalide and peloruside a.
Angew.Chem.Int.Ed.Engl., 53, 2014
8EBS
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BU of 8ebs by Molmil
Initial DNA-lesion (Cy5) binding by XPC and TFIIH
Descriptor: CALCIUM ION, Centrin-2, DNA, ...
Authors:Kim, J, Yang, W.
Deposit date:2022-08-31
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBT
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BU of 8ebt by Molmil
XPA repositioning Core7 of TFIIH relative to XPC-DNA lesion (Cy5)
Descriptor: CALCIUM ION, Centrin-2, DNA, ...
Authors:Kim, J, Yang, W.
Deposit date:2022-08-31
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
7LX0
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BU of 7lx0 by Molmil
Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Gisriel, C.J, Wang, J.
Deposit date:2021-03-02
Release date:2021-07-28
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light
BBA Adv, 1, 2021
7OPI
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BU of 7opi by Molmil
Structure of a minimal SF3B core in complex with the inactive modulator spliceostatin E (form I)
Descriptor: PHD finger-like domain-containing protein 5A, Spliceostatin E (form I), Splicing factor 3B subunit 1, ...
Authors:Cretu, C, Pena, V.
Deposit date:2021-05-31
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
8ARO
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BU of 8aro by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080291)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-17
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
6QLH
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BU of 6qlh by Molmil
Crystal structure of UbiX in complex with reduced FMN and isopentyl monophosphate
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavin prenyltransferase UbiX, Isopentenyl phosphate, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2019-02-01
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6DM0
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BU of 6dm0 by Molmil
Open state GluA2 in complex with STZ and blocked by IEM-1460, after micelle signal subtraction
Descriptor: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ...
Authors:Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I.
Deposit date:2018-06-04
Release date:2018-08-22
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
4S3R
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BU of 4s3r by Molmil
Amylomaltase MalQ from Escherichia coli in complex with the pseudo-heptasaccharide acarviosine-glucose-acarbose
Descriptor: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase, ACARBOSE DERIVED HEPTASACCHARIDE
Authors:Weiss, S.C, Schiefner, A.
Deposit date:2015-03-26
Release date:2015-07-08
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for the Interconversion of Maltodextrins by MalQ, the Amylomaltase of Escherichia coli.
J.Biol.Chem., 290, 2015
7LNU
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BU of 7lnu by Molmil
Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to isopentenyl monophosphate and ATP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R.
Deposit date:2021-02-08
Release date:2021-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
5D3I
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BU of 5d3i by Molmil
Crystal structure of the SSL3-TLR2 complex
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feitsma, L.J, Huizinga, E.G.
Deposit date:2015-08-06
Release date:2015-08-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for inhibition of TLR2 by staphylococcal superantigen-like protein 3 (SSL3).
Proc.Natl.Acad.Sci.USA, 112, 2015
6ZZX
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BU of 6zzx by Molmil
Structure of low-light grown Chlorella ohadii Photosystem I
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (3R)-beta,beta-caroten-3-ol, ...
Authors:Caspy, I, Nelson, N, Nechushtai, R, Neumann, E, Shkolnisky, Y.
Deposit date:2020-08-05
Release date:2021-07-28
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
7S3D
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BU of 7s3d by Molmil
Structure of photosystem I with bound ferredoxin from Synechococcus sp. PCC 7335 acclimated to far-red light
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2Fe-2S ferredoxin-type domain-containing protein, ...
Authors:Gisriel, C.J, Flesher, D.A, Shen, G, Wang, J, Ho, M, Brudvig, G.W, Bryant, D.A.
Deposit date:2021-09-05
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structure of a photosystem I-ferredoxin complex from a marine cyanobacterium provides insights into far-red light photoacclimation.
J.Biol.Chem., 298, 2021
2Y0F
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BU of 2y0f by Molmil
STRUCTURE OF GCPE (IspG) FROM THERMUS THERMOPHILUS HB27
Descriptor: 4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE, IRON/SULFUR CLUSTER
Authors:Rekittke, I, Nonaka, T, Wiesner, J, Demmer, U, Warkentin, E, Jomaa, H, Ermler, U.
Deposit date:2010-12-02
Release date:2011-01-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the E-1-Hydroxy-2-Methyl-But-2-Enyl-4-Diphosphate Synthase (Gcpe) from Thermus Thermophilus.
FEBS Lett., 585, 2011
6PNJ
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BU of 6pnj by Molmil
Structure of Photosystem I Acclimated to Far-red Light
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Gisriel, C.J, Shen, G, Kurashov, V, Ho, M, Zhang, S, Williams, D, Golbeck, J.H, Fromme, P, Bryant, D.A.
Deposit date:2019-07-02
Release date:2020-02-12
Last modified:2020-02-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The structure of Photosystem I acclimated to far-red light illuminates an ecologically important acclimation process in photosynthesis
Sci Adv, 6, 2020
6JQB
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BU of 6jqb by Molmil
The structure of maltooligosaccharide-forming amylase from Pseudomonas saccharophila STB07 with pseudo-maltoheptaose
Descriptor: 1,2-ETHANEDIOL, ACARBOSE DERIVED HEPTASACCHARIDE, CALCIUM ION, ...
Authors:Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
Deposit date:2019-03-30
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
6KMX
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BU of 6kmx by Molmil
Structure of PSI from H. hongdechloris grown under far-red light condition
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F.
Deposit date:2019-08-01
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Structural basis for the adaptation and function of chlorophyll f in photosystem I.
Nat Commun, 11, 2020
7ETK
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BU of 7etk by Molmil
The complex structure of FtmOx1 bond with fumitremorgen B at 1.22 angstrom
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ...
Authors:Zhou, J.H, Wu, L.
Deposit date:2021-05-13
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.22027433 Å)
Cite:Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1.
Angew.Chem.Int.Ed.Engl., 61, 2022
8RTZ
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BU of 8rtz by Molmil
The structure of E. coli penicillin binding protein 3 (PBP3) in complex with a bicyclic peptide inhibitor
Descriptor: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Bicyclic peptide inhibitor, Peptidoglycan D,D-transpeptidase FtsI
Authors:Newman, H, Rowland, C.E, Dods, R, Lewis, N, Stanway, S.J, Bellini, D, Beswick, P.
Deposit date:2024-01-29
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery and chemical optimisation of a Potent, Bi-cyclic (Bicycle) Antimicrobial Inhibitor of Escherichia coli PBP3
To Be Published
8RDZ
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BU of 8rdz by Molmil
Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with Ibrutinib
Descriptor: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, Ibrutinib (unbound form), ...
Authors:Raux, B, Huber, K.V.M.
Deposit date:2023-12-09
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
6JXJ
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BU of 6jxj by Molmil
Rb+-bound E2-AlF state of the gastric proton pump (Tyr799Trp)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K, Irie, K.
Deposit date:2019-04-23
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
4CIY
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BU of 4ciy by Molmil
Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-((1R)-1-hydroxy-2- phenyl)ethylcyclohex-2-en-1-carboxylic acid
Descriptor: (1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
Authors:Otero, J.M, Llamas-Saiz, A.L, Lamb, H, Hawkins, A.R, Blanco, B, Sedes, A, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2013-12-17
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.
J. Med. Chem., 57, 2014

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