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7MH3
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BU of 7mh3 by Molmil
Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-chlorotyrosine
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Mathews, I, Weaver, J.B, Boxer, S.G.
Deposit date:2021-04-14
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
3BC3
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BU of 3bc3 by Molmil
Exploring inhibitor binding at the S subsites of cathepsin L
Descriptor: Cathepsin L heavy and light chains, S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide
Authors:Chowdhury, S.F, Joseph, L, Kumar, S, Tulsidas, S.R, Bhat, S, Ziomek, E, Nard, R.M, Sivaraman, J, Purisima, E.O.
Deposit date:2007-11-12
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploring inhibitor binding at the S' subsites of cathepsin L
J.Med.Chem., 51, 2008
3BEX
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BU of 3bex by Molmil
Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate
Descriptor: PANTOTHENOIC ACID, PHOSPHATE ION, Type III pantothenate kinase
Authors:Yang, K, Huerta, C, Strauss, E, Zhang, H.
Deposit date:2007-11-20
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase.
Biochemistry, 47, 2008
2E7A
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BU of 2e7a by Molmil
TNF Receptor Subtype One-selective TNF Mutant with Antagonistic Activity
Descriptor: Tumor necrosis factor
Authors:Mukai, Y, Yamagata, Y, Tsutsumi, Y.
Deposit date:2007-01-09
Release date:2007-11-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Creation and X-ray structure analysis of the tumor necrosis factor receptor-1-selective mutant of a tumor necrosis factor-alpha antagonist
J.Biol.Chem., 283, 2008
8V5E
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BU of 8v5e by Molmil
IpaD (122-321) Pi-helix Mutant (delta Q148) Bound to Deoxycholate
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCEROL, Invasin IpaD
Authors:Barker, S.A, Dickenson, N.E, Johnson, S.J.
Deposit date:2023-11-30
Release date:2024-08-21
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional characterization of the IpaD pi-helix reveals critical roles in DOC interaction, T3SS apparatus maturation, and Shigella virulence.
J.Biol.Chem., 300, 2024
3BET
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BU of 3bet by Molmil
Crystal structure of the human carbonic anhydrase II in complex with STX 641 at 1.85 angstroms resolution
Descriptor: (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2007-11-20
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents
J.Med.Chem., 51, 2008
7ML4
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BU of 7ml4 by Molmil
RNA polymerase II initially transcribing complex (ITC)
Descriptor: BJ4_G0050160.mRNA.1.CDS.1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Yang, C, Fujiwara, R, Kim, H.J, Gorbea Colon, J.J, Steimle, S, Garcia, B.A, Murakami, K.
Deposit date:2021-04-27
Release date:2022-02-02
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural visualization of de novo transcription initiation by Saccharomyces cerevisiae RNA polymerase II.
Mol.Cell, 82, 2022
4MFK
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BU of 4mfk by Molmil
The crystal structure of acyltransferase in complex with decanoyl-CoA
Descriptor: Putative uncharacterized protein tcp24, SULFATE ION, decanoyl-CoA
Authors:Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
5MBL
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BU of 5mbl by Molmil
Cathepsin B in complex with DARPin 81
Descriptor: Cathepsin B, DARPin 81, SULFATE ION
Authors:Turk, D, Kramer, L, Renko, M, Turk, B.
Deposit date:2016-11-08
Release date:2017-12-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Cathepsin B in complex with DARPin 81
To Be Published
3B1N
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BU of 3b1n by Molmil
Structure of Burkholderia thailandensis nucleoside kinase (BthNK) in complex with ADP-mizoribine
Descriptor: 5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Yasutake, Y, Ota, H, Hino, E, Sakasegawa, S, Tamura, T.
Deposit date:2011-07-05
Release date:2011-11-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structures of Burkholderia thailandensis nucleoside kinase: implications for the catalytic mechanism and nucleoside selectivity
Acta Crystallogr.,Sect.D, 67, 2011
3S9T
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BU of 3s9t by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
Descriptor: 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Grazulis, S, Manakova, E, Tamulaitiene, G.
Deposit date:2011-06-02
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
3BBR
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BU of 3bbr by Molmil
Crystal structure of the iGluR2 ligand binding core (S1S2J-N775S) in complex with a dimeric positive modulator as well as glutamate at 2.25 A resolution
Descriptor: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
Authors:Kastrup, J.S, Gajhede, M.
Deposit date:2007-11-11
Release date:2007-12-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural proof of a dimeric positive modulator bridging two identical AMPA receptor-binding sites
Chem.Biol., 14, 2007
7XSE
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BU of 7xse by Molmil
RNA polymerase II elongation complex transcribing a nucleosome (EC42)
Descriptor: Component of the Paf1p complex, Constituent of Paf1 complex with RNA polymerase II, Paf1p, ...
Authors:Ehara, H, Kujirai, T, Shirouzu, M, Kurumizaka, H, Sekine, S.
Deposit date:2022-05-13
Release date:2022-09-07
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of nucleosome disassembly and reassembly by RNAPII elongation complex with FACT.
Science, 377, 2022
7XTD
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BU of 7xtd by Molmil
RNA polymerase II elongation complex transcribing a nucleosome (EC58oct)
Descriptor: Component of the Paf1p complex, Constituent of Paf1 complex with RNA polymerase II, Paf1p, ...
Authors:Ehara, H, Kujirai, T, Shirouzu, M, Kurumizaka, H, Sekine, S.
Deposit date:2022-05-16
Release date:2022-09-07
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of nucleosome disassembly and reassembly by RNAPII elongation complex with FACT.
Science, 377, 2022
7XSX
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BU of 7xsx by Molmil
RNA polymerase II elongation complex transcribing a nucleosome (EC49)
Descriptor: Component of the Paf1p complex, Constituent of Paf1 complex with RNA polymerase II, Paf1p, ...
Authors:Ehara, H, Kujirai, T, Shirouzu, M, Kurumizaka, H, Sekine, S.
Deposit date:2022-05-15
Release date:2022-09-07
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of nucleosome disassembly and reassembly by RNAPII elongation complex with FACT.
Science, 377, 2022
8RUY
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BU of 8ruy by Molmil
Structure of IFTA and IFTB in Retrograde Intraflagellar transport trains
Descriptor: Clusterin-associated protein 1, IFT54, IFT70, ...
Authors:Lacey, S, Pigino, G.
Deposit date:2024-01-31
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (15.4 Å)
Cite:Retrograde intraflagellar transport trains are a unique polymeric arrangement of IFT complexes
To Be Published
7XSZ
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BU of 7xsz by Molmil
RNA polymerase II elongation complex transcribing a nucleosome (EC115)
Descriptor: Component of the Paf1p complex, Constituent of Paf1 complex with RNA polymerase II, Paf1p, ...
Authors:Ehara, H, Kujirai, T, Shirouzu, M, Kurumizaka, H, Sekine, S.
Deposit date:2022-05-15
Release date:2022-09-07
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of nucleosome disassembly and reassembly by RNAPII elongation complex with FACT.
Science, 377, 2022
4M2W
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BU of 4m2w by Molmil
Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide
Descriptor: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
Authors:Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, McKenna, R.
Deposit date:2013-08-05
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.658 Å)
Cite:Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
4MB2
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BU of 4mb2 by Molmil
Crystal structure of TON1374 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphopantothenate synthetase
Authors:Kim, M.-K, An, Y.J, Cha, S.-S.
Deposit date:2013-08-19
Release date:2014-08-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The crystal structure of a novel phosphopantothenate synthetase from the hyperthermophilic archaea, Thermococcus onnurineus NA1
Biochem.Biophys.Res.Commun., 439, 2013
3BF1
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BU of 3bf1 by Molmil
Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, PANTOTHENOIC ACID, Type III pantothenate kinase
Authors:Yang, K, Huerta, C, Strauss, E, Zhang, H.
Deposit date:2007-11-20
Release date:2008-06-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase.
Biochemistry, 47, 2008
5MJN
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BU of 5mjn by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-[(4Chlorobenzyl)sulfanyl]thiophene-2-sulfonamide
Descriptor: 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2016-12-01
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:5-Substituted-benzylsulfanyl-thiophene-2-sulfonamides with effective carbonic anhydrase inhibitory activity: Solution and crystallographic investigations.
Bioorg. Med. Chem., 25, 2017
3B1O
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BU of 3b1o by Molmil
Structure of Burkholderia thailandensis nucleoside kinase (BthNK) in ligand-free form
Descriptor: Ribokinase, putative
Authors:Yasutake, Y, Ota, H, Hino, E, Sakasegawa, S, Tamura, T.
Deposit date:2011-07-05
Release date:2011-11-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Burkholderia thailandensis nucleoside kinase: implications for the catalytic mechanism and nucleoside selectivity
Acta Crystallogr.,Sect.D, 67, 2011
3B23
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BU of 3b23 by Molmil
Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors
Descriptor: Thrombin heavy chain, Thrombin light chain, Variegin
Authors:Koh, C.Y, Kumar, S, Swaminathan, K, Kini, R.M.
Deposit date:2011-07-20
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of thrombin in complex with s-variegin: insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors
Plos One, 6, 2011
7XT7
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BU of 7xt7 by Molmil
RNA polymerase II elongation complex transcribing a nucleosome (EC49B)
Descriptor: Component of the Paf1p complex, Constituent of Paf1 complex with RNA polymerase II, Paf1p, ...
Authors:Ehara, H, Kujirai, T, Shirouzu, M, Kurumizaka, H, Sekine, S.
Deposit date:2022-05-16
Release date:2022-10-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis of nucleosome disassembly and reassembly by RNAPII elongation complex with FACT.
Science, 377, 2022
7XTI
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BU of 7xti by Molmil
RNA polymerase II elongation complex transcribing a nucleosome (EC58hex)
Descriptor: Component of the Paf1p complex, Constituent of Paf1 complex with RNA polymerase II, Paf1p, ...
Authors:Ehara, H, Kujirai, T, Shirouzu, M, Kurumizaka, H, Sekine, S.
Deposit date:2022-05-17
Release date:2022-10-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of nucleosome disassembly and reassembly by RNAPII elongation complex with FACT.
Science, 377, 2022

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PDB entries from 2024-10-02

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