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7KYR
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BU of 7kyr by Molmil
Crystal structure of I107E CuB myoglobin (I107E L29H F43H sperm whale myoglobin)
Descriptor: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Petrik, I, Lu, Y.
Deposit date:2020-12-08
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:An Engineered Glutamate in Biosynthetic Models of Heme-Copper Oxidases Drives Complete Product Selectivity by Tuning the Hydrogen-Bonding Network.
Biochemistry, 60, 2021
5SCV
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BU of 5scv by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-889
Descriptor: 6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-889
to be published
3LLC
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BU of 3llc by Molmil
Crystal structure of Putative hydrolase (YP_002548124.1) from Agrobacterium vitis S4 at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-01-28
Release date:2010-03-23
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Putative hydrolase (YP_002548124.1) from Agrobacterium vitis S4 at 1.80 A resolution
To be published
3C9N
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BU of 3c9n by Molmil
Crystal Structure of a SARS Corona Virus Derived Peptide Bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Roder, G.A, Kristensen, O, Kastrup, J.S, Buus, S, Gajhede, M.
Deposit date:2008-02-18
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure of a SARS coronavirus-derived peptide bound to the human major histocompatibility complex class I molecule HLA-B*1501.
ACTA CRYSTALLOGR.,SECT.F, 64, 2008
2P6F
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BU of 2p6f by Molmil
Crystal structures of Saccharomyces cerevisiae N-myristoyltransferase with bound myristoyl-CoA and inhibitors
Descriptor: (Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Wu, J, Ding, J.
Deposit date:2007-03-18
Release date:2007-06-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structures of Saccharomyces cerevisiae N-myristoyltransferase with bound myristoyl-CoA and inhibitors reveal the functional roles of the N-terminal region.
J.Biol.Chem., 282, 2007
2B5T
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BU of 2b5t by Molmil
2.1 Angstrom structure of a nonproductive complex between antithrombin, synthetic heparin mimetic SR123781 and two S195A thrombin molecules
Descriptor: 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Johnson, D.J, Li, W, Luis, S.A, Carrell, R.W, Huntington, J.A.
Deposit date:2005-09-29
Release date:2006-09-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation.
J.Biol.Chem., 281, 2006
2GRU
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BU of 2gru by Molmil
Crystal structure of 2-deoxy-scyllo-inosose synthase complexed with carbaglucose-6-phosphate, NAD+ and Co2+
Descriptor: (1R,2S,3S,4R)-5-METHYLENECYCLOHEXANE-1,2,3,4-TETRAOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-deoxy-scyllo-inosose synthase, ...
Authors:Nango, E, Kumasaka, T.
Deposit date:2006-04-25
Release date:2007-05-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of 2-deoxy-scyllo-inosose synthase, a key enzyme in the biosynthesis of 2-deoxystreptamine-containing aminoglycoside antibiotics, in complex with a mechanism-based inhibitor and NAD+
Proteins, 70, 2008
1WUA
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BU of 1wua by Molmil
The structure of Aplyronine A-actin complex
Descriptor: (8R,9R,10R,11R,14S,18S,20S,24S)-24-{(1R,2S,3R,6R,7R,8R,9S,10E)-8-(ACETYLOXY)-6-[(N,N-DIMETHYLALANYL)OXY]-11-[FORMYL(MET HYL)AMINO]-2-HYDROXY-1,3,7,9-TETRAMETHYLUNDEC-10-ENYL}-10-HYDROXY-14,20-DIMETHOXY-9,11,15,18-TETRAMETHYL-2-OXOOXACYCLOTE TRACOSA-3,5,15,21-TETRAEN-8-YL N,N,O-TRIMETHYLSERINATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Hirata, K, Muraoka, S, Suenaga, K, Kuroda, T, Kato, K, Tanaka, H, Yamamoto, M, Takata, M, Yamada, K, Kigoshi, H.
Deposit date:2004-12-03
Release date:2006-02-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure basis for antitumor effect of aplyronine a
J.Mol.Biol., 356, 2006
2JXN
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BU of 2jxn by Molmil
Solution Structure of S. cerevisiae PDCD5-like Protein Ymr074cp
Descriptor: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Uncharacterized protein YMR074C
Authors:Hong, J, Zhang, J, Liu, Z, Shi, Y, Wu, J.
Deposit date:2007-11-23
Release date:2008-12-02
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Solution Structure and Dynamics of S. cerevisiae PDCD5-like Protein Ymr074cp Determined by Heteronuclear NMR Spectroscopy
To be Published
1AFC
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BU of 1afc by Molmil
STRUCTURAL STUDIES OF THE BINDING OF THE ANTI-ULCER DRUG SUCROSE OCTASULFATE TO ACIDIC FIBROBLAST GROWTH FACTOR
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR
Authors:Zhu, X, Hsu, B.T, Rees, D.C.
Deposit date:1993-07-13
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of the binding of the anti-ulcer drug sucrose octasulfate to acidic fibroblast growth factor.
Structure, 1, 1993
1NAB
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BU of 1nab by Molmil
The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes
Descriptor: 5'-D(*CP*GP*AP*TP*CP*G)-3', 7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE
Authors:Temperini, C, Messori, L, Orioli, P, Di Bugno, C, Animati, F, Ughetto, G.
Deposit date:2002-11-27
Release date:2003-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes
Nucleic Acids Res., 31, 2003
2BLY
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BU of 2bly by Molmil
HEWL after a high dose x-ray "burn"
Descriptor: LYSOZYME C, TETRAETHYLENE GLYCOL
Authors:Nanao, M.H, Ravelli, R.B.
Deposit date:2005-03-08
Release date:2005-09-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
6IM3
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BU of 6im3 by Molmil
Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), ...
Authors:Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H.
Deposit date:2018-10-22
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1.
Mol.Cells, 42, 2019
7KUS
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BU of 7kus by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N8-Acetylspermidine (Tetrahedral Intermediate)
Descriptor: 1,2-ETHANEDIOL, 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-11-25
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
6PGL
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BU of 6pgl by Molmil
Structure of Kluyveromyces marxianus Usb1 with uridine monophosphate
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, GLYCEROL, ...
Authors:Nomura, Y, Montemayor, E.J, Butcher, S.E.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Structural basis for the evolution of cyclic phosphodiesterase activity in the U6 snRNA exoribonuclease Usb1.
Nucleic Acids Res., 48, 2020
7B2I
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BU of 7b2i by Molmil
Heterodimeric tRNA-Guanine Transglycosylase from mouse
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ...
Authors:Sebastiani, M, Heine, A, Reuter, K.
Deposit date:2020-11-27
Release date:2021-12-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
5A19
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BU of 5a19 by Molmil
The structure of MAT2A in complex with PPNP.
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L.
Deposit date:2015-04-28
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystallography Captures Catalytic Steps in Human Methionine Adenosyltransferase Enzymes.
Proc.Natl.Acad.Sci.USA, 113, 2016
2JIP
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BU of 2jip by Molmil
A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ...
Authors:Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J.
Deposit date:2007-06-28
Release date:2008-03-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum.
J.Biol.Inorg.Chem., 13, 2008
6ILR
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BU of 6ilr by Molmil
Structure of Arabidopsis thaliana Ribokinase in unligand form
Descriptor: Ribokinase, SODIUM ION, TETRAETHYLENE GLYCOL
Authors:Kang, P, Oh, J, Rhee, S.
Deposit date:2018-10-19
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.972 Å)
Cite:Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana.
J. Struct. Biol., 206, 2019
7B4L
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BU of 7b4l by Molmil
CryoEM structure of the human sodium proton exchanger NHA2
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Sodium/hydrogen exchanger 9B2, ...
Authors:Woehlert, D, Kuhlbrandt, W, Yildiz, O.
Deposit date:2020-12-02
Release date:2022-01-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:CryoEM structure of the human sodium proton exchanger NHA2
To Be Published
2JIO
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BU of 2jio by Molmil
A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ...
Authors:Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J.
Deposit date:2007-06-28
Release date:2008-03-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum.
J.Biol.Inorg.Chem., 13, 2008
5DYO
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BU of 5dyo by Molmil
Fab43.1 complex with flourescein
Descriptor: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, Fab 43.1 Heavy Chain, Fab 43.1 Light Chain, ...
Authors:Longenecker, K.L, Judge, R.A.
Deposit date:2015-09-25
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Three-dimensional structure, binding, and spectroscopic characteristics of the monoclonal antibody 43.1 directed to the carboxyphenyl moiety of fluorescein.
Biopolymers, 105, 2016
6IQC
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BU of 6iqc by Molmil
Wild-type Programmed Cell Death 5 protein from Sulfolobus solfataricus
Descriptor: DNA-binding protein SSO0352, SODIUM ION, TETRAETHYLENE GLYCOL
Authors:Chen, C.Y, Lin, K.F, Hsu, C.Y, Tsai, M.J.
Deposit date:2018-11-06
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structure of the programmed cell death 5 protein from Sulfolobus solfataricus.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6P9M
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BU of 6p9m by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6J
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
5ELF
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BU of 5elf by Molmil
Cholera toxin El Tor B-pentamer in complex with A-pentasaccharide
Descriptor: BICINE, CALCIUM ION, Cholera enterotoxin subunit B, ...
Authors:Heggelund, J.E, Burschowsky, D, Krengel, U.
Deposit date:2015-11-04
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016

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