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2ZT2
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BU of 2zt2 by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser on [600 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZOQ
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BU of 2zoq by Molmil
Structural dissection of human mitogen-activated kinase ERK1
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 3, SODIUM ION, ...
Authors:Kinoshita, T, Tada, T, Nakae, S, Yoshida, I.
Deposit date:2008-06-01
Release date:2009-04-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal structure of human mono-phosphorylated ERK1 at Tyr204
Biochem.Biophys.Res.Commun., 377, 2008
2ZT4
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BU of 2zt4 by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser on [810 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
4PH8
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BU of 4ph8 by Molmil
Crystal structure of AggA, the major subunit of aggregative adherence fimbriae type I (AAF/I) from the Escherichia coli O4H104
Descriptor: Aggregative adherence fimbrial subunit AggA, GLYCEROL
Authors:Pakharukova, N.A, Tuitilla, M, Zavialov, A.V.
Deposit date:2014-05-05
Release date:2014-10-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Insight into Host Recognition by Aggregative Adherence Fimbriae of Enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
4P4J
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BU of 4p4j by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor T33D
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Barinka, C.
Deposit date:2014-03-12
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
4P35
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BU of 4p35 by Molmil
Crystal structure of DJ-1 with Zinc(II) bound (crystal I)
Descriptor: CHLORIDE ION, GLYCEROL, Protein DJ-1, ...
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-05
Release date:2014-04-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
3A03
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BU of 3a03 by Molmil
Crystal structure of Hox11L1 homeodomain
Descriptor: SODIUM ION, SULFATE ION, T-cell leukemia homeobox protein 2
Authors:Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M.
Deposit date:2009-02-28
Release date:2010-03-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless
Embo J., 29, 2010
3A16
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BU of 3a16 by Molmil
Crystal Structure of Aldoxime Dehydratase (OxdRE) in Complex with Propionaldoxime
Descriptor: (1Z)-propanal oxime, Aldoxime dehydratase, MAGNESIUM ION, ...
Authors:Sawai, H, Sugimoto, H, Kato, Y, Asano, Y, Shiro, Y, Aono, S.
Deposit date:2009-03-26
Release date:2009-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystal structure of michaelis complex of aldoxime dehydratase
J.Biol.Chem., 284, 2009
3A42
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BU of 3a42 by Molmil
Crystal structure of MvNei1
Descriptor: Formamidopyrimidine-DNA glycosylase, GLYCEROL, SULFATE ION
Authors:Imamura, K, Wallace, S, Doublie, S.
Deposit date:2009-06-30
Release date:2009-07-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA
J.Biol.Chem., 284, 2009
3A4K
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BU of 3a4k by Molmil
Crystal structural analysis of HindIII restriction endonuclease in complex with cognate DNA and divalent cations at 2.17 angstrom resolution
Descriptor: ACETATE ION, DNA (5'-D(*GP*CP*CP*A)-3'), DNA (5'-D(*GP*CP*CP*AP*AP*GP*CP*TP*TP*GP*GP*C)-3'), ...
Authors:Watanabe, N, Sato, C, Takasaki, Y, Tanaka, I.
Deposit date:2009-07-09
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structures of restriction endonuclease HindIII in complex with its cognate DNA and divalent cations
Acta Crystallogr.,Sect.D, 65, 2009
3A5J
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BU of 3a5j by Molmil
Crystal structure of protein-tyrosine phosphatase 1B
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ito, S.
Deposit date:2009-08-08
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Post-translational modification of a non-catalytic Cys121 of PTP1B
To be Published
3ABV
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BU of 3abv by Molmil
Crystal structure of porcine heart mitochondrial complex II bound with N-Biphenyl-3-yl-2-trifluoromethyl-benzamide
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K.
Deposit date:2009-12-22
Release date:2011-02-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Int J Mol Sci, 16, 2015
2ZZF
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BU of 2zzf by Molmil
Crystal structure of alanyl-tRNA synthetase without oligomerization domain
Descriptor: Alanyl-tRNA synthetase, ZINC ION
Authors:Sokabe, M, Ose, T, Tokunaga, K, Nakamura, A, Nureki, O, Yao, M, Tanaka, I.
Deposit date:2009-02-10
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of alanyl-tRNA synthetase with editing domain.
Proc.Natl.Acad.Sci.USA, 106, 2009
4PXF
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BU of 4pxf by Molmil
Crystal structure of the active G-protein-coupled receptor opsin in complex with the finger-loop peptide derived from the full-length arrestin-1
Descriptor: ACETATE ION, PALMITIC ACID, Rhodopsin, ...
Authors:Szczepek, M, Scheerer, P.
Deposit date:2014-03-23
Release date:2014-09-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of a common GPCR-binding interface for G protein and arrestin.
Nat Commun, 5, 2014
4PXT
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BU of 4pxt by Molmil
Structural basis for the assembly of the mitotic motor kinesin-5 into bipolar tetramers
Descriptor: Bipolar kinesin KRP-130
Authors:Scholey, J.E, Nithianantham, S, Scholey, J.M, Al-Bassam, J.
Deposit date:2014-03-25
Release date:2014-04-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the assembly of the mitotic motor Kinesin-5 into bipolar tetramers.
Elife, 3, 2014
2WWY
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BU of 2wwy by Molmil
Structure of human RECQ-like helicase in complex with a DNA substrate
Descriptor: 1,2-ETHANEDIOL, 5'-D(*DA DG DC DG DT DC DG DA DG DA DT DC DCP)-3', ATP-DEPENDENT DNA HELICASE Q1, ...
Authors:Pike, A.C.W, Zhang, Y, Schnecke, C, Chaikuad, A, Krojer, T, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2009-10-30
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Recq1 Helicase-Driven DNA Unwinding, Annealing, and Branch Migration: Insights from DNA Complex Structures
Proc.Natl.Acad.Sci.USA, 112, 2015
4Q08
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BU of 4q08 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-04-01
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
4Q5O
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BU of 4q5o by Molmil
Crystal structure of EctD from S. alaskensis with 2-oxoglutarate and 5-hydroxyectoine
Descriptor: (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-OXOGLUTARIC ACID, Ectoine hydroxylase, ...
Authors:Hoeppner, A, Widderich, N, Bremer, E, Smits, S.H.
Deposit date:2014-04-17
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structure of the ectoine hydroxylase, a snapshot of the active site.
J.Biol.Chem., 289, 2014
4QNW
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BU of 4qnw by Molmil
Crystal structure of EasA, an old yellow enzyme from Aspergillus fumigatus
Descriptor: Chanoclavine-I aldehyde reductase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Lamb, A.L.
Deposit date:2014-06-18
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of an Aspergillus fumigatus old yellow enzyme (EasA) involved in ergot alkaloid biosynthesis.
Acta Crystallogr.,Sect.F, 70, 2014
4Q0L
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BU of 4q0l by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor
Descriptor: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-04-02
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
4Q0Y
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BU of 4q0y by Molmil
Crystal structure of a thioesterase-like protein (CLOSPO_01618) from Clostridium sporogenes ATCC 15579 at 1.70 A resolution
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-04-02
Release date:2014-06-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a hypothetical protein (CLOSPO_01618) from Clostridium sporogenes ATCC 15579 at 1.70 A resolution
To be published
4PZH
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BU of 4pzh by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-03-31
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
4Q6K
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BU of 4q6k by Molmil
Crystal structure of a putative neuraminidase (BACCAC_01090) from Bacteroides caccae ATCC 43185 at 1.90 A resolution (PSI Community Target)
Descriptor: 1,2-ETHANEDIOL, BNR/Asp-box repeat protein, POTASSIUM ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-04-22
Release date:2014-10-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Crystal structure of a putative neuraminidase (BACCAC_01090) from Bacteroides caccae ATCC 43185 at 1.90 A resolution
To be published
2XUF
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BU of 2xuf by Molmil
CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (1 MTH)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
4Q9J
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BU of 4q9j by Molmil
P-glycoprotein cocrystallised with QZ-Val
Descriptor: Multidrug resistance protein 1A, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID
Authors:McGrath, A.P, Szewczyk, P, Chang, G.
Deposit date:2014-05-01
Release date:2015-03-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015

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