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2F29
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BU of 2f29 by Molmil
Crystal Structure of the Human Sialidase Neu2 Q116E Mutant in Complex with DANA Inhibitor
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Sialidase 2
Authors:Chavas, L.M.G, Kato, R, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S.
Deposit date:2005-11-15
Release date:2006-11-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.921 Å)
Cite:Crystal Structure of the Human Sialidase Neu2 Q116E Mutant in Complex with DANA Inhibitor
To be Published
2XLC
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BU of 2xlc by Molmil
Acetyl xylan esterase from Bacillus pumilus CECT5072 bound to paraoxon
Descriptor: ACETYL XYLAN ESTERASE, DIETHYL PHOSPHONATE
Authors:Gil-Ortiz, F, Montoro-Garcia, S, Polo, L.M, Rubio, V, Sanchez-Ferrer, A.
Deposit date:2010-07-20
Release date:2011-05-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structure of the Cephalosporin Deacetylating Enzyme Acetyl Xylan Esterase Bound to Paraoxon Explains the Low Sensitivity of This Serine Hydrolase to Organophosphate Inactivation.
Biochem.J., 436, 2011
3EZG
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BU of 3ezg by Molmil
Crystal structure of E18Q DJ-1 with oxidized C106
Descriptor: Protein DJ-1
Authors:Lakshminarasimhan, M, Wilson, M.A.
Deposit date:2008-10-22
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Formation of a stabilized cysteine sulfinic acid is critical for the mitochondrial function of the parkinsonism protein DJ-1.
J.Biol.Chem., 284, 2009
6BSN
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BU of 6bsn by Molmil
Structure of proline utilization A (PutA) with proline bound in remote sites
Descriptor: Bifunctional protein PutA, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, PROLINE, ...
Authors:Tanner, J.J, Korasick, D.A.
Deposit date:2017-12-04
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for the Substrate Inhibition of Proline Utilization A by Proline.
Molecules, 23, 2017
3FI5
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BU of 3fi5 by Molmil
Crystal Structure of T4 Lysozyme Mutant R96W
Descriptor: CHLORIDE ION, ISOPROPYL ALCOHOL, Lysozyme, ...
Authors:Mooers, B.H.M, Matthews, B.W.
Deposit date:2008-12-11
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme.
Protein Sci., 18, 2009
4RE0
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BU of 4re0 by Molmil
Crystal structure of VmoLac in P622 space group
Descriptor: COBALT (II) ION, GLYCEROL, MYRISTIC ACID, ...
Authors:Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M.
Deposit date:2014-09-20
Release date:2015-02-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
Sci Rep, 5, 2015
1PVO
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BU of 1pvo by Molmil
X-ray crystal structure of Rho transcription termination factor in complex with ssRNA substrate and ANPPNP
Descriptor: 5'-R(P*UP*C)-3', PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transcription termination factor rho
Authors:Skordalakes, E, Berger, J.M.
Deposit date:2003-06-27
Release date:2003-07-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Rho transcription terminator: mechanism of mRNA recognition and helicase loading
Cell(Cambridge,Mass.), 114, 2003
2P1N
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BU of 2p1n by Molmil
Mechanism of Auxin Perception by the TIR1 Ubiqutin Ligase
Descriptor: (2,4-DICHLOROPHENOXY)ACETIC ACID, Auxin-responsive protein IAA7, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, C, Zheng, N.
Deposit date:2007-03-06
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of auxin perception by the TIR1 ubiquitin ligase
Nature, 446, 2007
1Q1N
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BU of 1q1n by Molmil
APO AND HOLO STRUCTURES OF AN NADP(H)-DEPENDENT CINNAMYL ALCOHOL DEHYDROGENASE FROM SACCHAROMYCES CEREVISIAE
Descriptor: Hypothetical zinc-type alcohol dehydrogenase-like protein in PRE5-FET4 intergenic region, ZINC ION
Authors:Valencia, E, Larroy, C, Ochoa, W.F, Pares, X, Fita, I, Biosca, J.A.
Deposit date:2003-07-22
Release date:2004-08-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Apo and Holo Structures of an NADP(H)-dependent Cinnamyl Alcohol Dehydrogenase from Saccharomyces cerevisiae
J.Mol.Biol., 341, 2004
6J7I
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BU of 6j7i by Molmil
Fusion protein of heme oxygenase-1 and NADPH cytochrome P450 reductase (15aa)
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ...
Authors:Sugishima, M, Sato, H, Wada, K, Yamamoto, K.
Deposit date:2019-01-18
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of a NADPH-cytochrome P450 oxidoreductase (CYPOR) and heme oxygenase 1 fusion protein implies a conformational change in CYPOR upon NADPH/NADP+binding.
Febs Lett., 593, 2019
2F4L
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BU of 2f4l by Molmil
Crystal structure of a putative acetamidase (tm0119) from thermotoga maritima msb8 at 2.50 A resolution
Descriptor: CHLORIDE ION, ZINC ION, acetamidase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-11-23
Release date:2005-12-06
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Acetamidase, putative (tm0119) from THERMOTOGA MARITIMA at 2.50 A resolution
To be published
1PX3
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BU of 1px3 by Molmil
E. COLI (LACZ) BETA-GALACTOSIDASE (G794A)
Descriptor: DIMETHYL SULFOXIDE, MAGNESIUM ION, SODIUM ION, ...
Authors:Juers, D.H, Hakda, S, Matthews, B.W, Huber, R.E.
Deposit date:2003-07-02
Release date:2004-06-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for the Altered Activity of Gly794 Variants of Escherichia coli Beta-Galactosidase
Biochemistry, 42, 2003
6J87
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BU of 6j87 by Molmil
Crystal structure of HinD with NMFT and NO
Descriptor: N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide, NITRIC OXIDE, Nocardicin N-oxygenase, ...
Authors:Fei, H, Mori, T, Abe, I.
Deposit date:2019-01-18
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
3QKV
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BU of 3qkv by Molmil
Crystal structure of fatty acid amide hydrolase with small molecule compound
Descriptor: (6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol, Fatty-acid amide hydrolase 1
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-02-01
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
7D1U
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BU of 7d1u by Molmil
Cryo-EM Structure of PSII at 2.08 angstrom resolution
Descriptor: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Kato, K, Miyazaki, N, Hamaguchi, T, Nakajima, Y, Akita, F, Yonekura, K, Shen, J.R.
Deposit date:2020-09-15
Release date:2021-03-31
Last modified:2021-04-07
Method:ELECTRON MICROSCOPY (2.08 Å)
Cite:High-resolution cryo-EM structure of photosystem II reveals damage from high-dose electron beams.
Commun Biol, 4, 2021
7D6V
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BU of 7d6v by Molmil
Mycobacterium smegmatis Sdh1 in complex with UQ1
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z.
Deposit date:2020-10-02
Release date:2021-04-07
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster.
Proc.Natl.Acad.Sci.USA, 118, 2021
1PZG
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BU of 1pzg by Molmil
T.gondii LDH1 complexed with APAD and sulfate at 1.6 Angstroms
Descriptor: 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, SULFATE ION, lactate dehydrogenase
Authors:Kavanagh, K.L, Elling, R.A, Wilson, D.K.
Deposit date:2003-07-10
Release date:2004-02-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Toxoplasma gondii LDH1: Active-Site Differences from Human Lactate Dehydrogenases and the Structural Basis for Efficient APAD+ Use.
Biochemistry, 43, 2004
4RF3
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BU of 4rf3 by Molmil
Crystal Structure of ketoreductase from Lactobacillus kefir, mutant A94F
Descriptor: GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
Authors:Tang, Y, Tibrewal, N, Cascio, D.
Deposit date:2014-09-24
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
3QBU
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BU of 3qbu by Molmil
Crystal structure of putative peptidoglycan deactelyase (HP0310) from Helicobacter pylori
Descriptor: Putative uncharacterized protein, ZINC ION
Authors:Shaik, M.M, Cendron, L, Percudani, R, Zanotti, G.
Deposit date:2011-01-14
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5701 Å)
Cite:The Structure of Helicobacter pylori HP0310 Reveals an Atypical Peptidoglycan Deacetylase.
Plos One, 6, 2011
7XQN
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BU of 7xqn by Molmil
InDel-mutant malate dehydrogenase from E. coli
Descriptor: Malate dehydrogenase
Authors:Toledo-Patino, S, Laurino, P.
Deposit date:2022-05-08
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Insertions and deletions mediated functional divergence of Rossmann fold enzymes.
Proc.Natl.Acad.Sci.USA, 119, 2022
3FMW
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BU of 3fmw by Molmil
The crystal structure of MtmOIV, a Baeyer-Villiger monooxygenase from the mithramycin biosynthetic pathway in Streptomyces argillaceus.
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Oxygenase
Authors:Noinaj, N, Beam, M.P, Wang, C, Rohr, J.
Deposit date:2008-12-22
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal structure of Baeyer-Villiger monooxygenase MtmOIV, the key enzyme of the mithramycin biosynthetic pathway .
Biochemistry, 48, 2009
7YI7
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BU of 7yi7 by Molmil
Crystal structure of Human HPSE1 in complex with inhibitor
Descriptor: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit
Authors:Mima, M, Fujimoto, N, Imai, Y.
Deposit date:2022-07-15
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
3QE9
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BU of 3qe9 by Molmil
Crystal structure of human exonuclease 1 Exo1 (D173A) in complex with DNA (complex I)
Descriptor: CALCIUM ION, DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), ...
Authors:Orans, J, McSweeney, E.A, Iyer, R.R, Hast, M.A, Hellinga, H.W, Modrich, P, Beese, L.S.
Deposit date:2011-01-20
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structures of human exonuclease 1 DNA complexes suggest a unified mechanism for nuclease family.
Cell(Cambridge,Mass.), 145, 2011
7YJC
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BU of 7yjc by Molmil
Crystal structure of Human HPSE1 in complex with inhibitor
Descriptor: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit
Authors:Mima, M, Fujimoto, N, Imai, Y.
Deposit date:2022-07-19
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
2JJT
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BU of 2jjt by Molmil
Structure of human CD47 in complex with human signal regulatory protein (SIRP) alpha
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LEUKOCYTE SURFACE ANTIGEN CD47, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE SUBSTRATE 1
Authors:Hatherley, D, Graham, S.C, Turner, J, Harlos, K, Stuart, D.I, Barclay, A.N.
Deposit date:2008-04-22
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Paired receptor specificity explained by structures of signal regulatory proteins alone and complexed with CD47.
Mol. Cell, 31, 2008

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