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2VSR
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BU of 2vsr by Molmil
hPPARgamma Ligand binding domain in complex with 9-(S)-HODE
Descriptor: (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
Authors:Itoh, T, Fairall, L, Schwabe, J.W.R.
Deposit date:2008-04-29
Release date:2008-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
1KW0
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BU of 1kw0 by Molmil
Catalytic Domain of Human Phenylalanine Hydroxylase (Fe(II)) in Complex with Tetrahydrobiopterin and Thienylalanine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, BETA(2-THIENYL)ALANINE, FE (II) ION, ...
Authors:Andersen, O.A, Flatmark, T, Hough, E.
Deposit date:2002-01-28
Release date:2003-01-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Ternary Complex of the Catalytic Domain of Human Phenylalanine Hydroxylase with Tetrahydrobiopterin and 3-(2-thienyl)-L-alanine, and its Implications for the Mechanism of Catalysis and Substrate Activation
J.Mol.Biol., 320, 2002
4Y5C
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BU of 4y5c by Molmil
Endothiapepsin in complex with fragment 267
Descriptor: 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, ACETATE ION, Endothiapepsin, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published
2E03
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BU of 2e03 by Molmil
Crystal structure of NQ67E mutant of yeast bleomycin hydrolase
Descriptor: Cysteine proteinase 1
Authors:O'Farrell, P.A, Joshua-Tor, L.
Deposit date:2006-10-01
Release date:2007-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
4Y5M
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BU of 4y5m by Molmil
Endothiapepsin in complex with fragment 328
Descriptor: 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Fu, K, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4J0Q
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BU of 4j0q by Molmil
Crystal structure of Pseudomonas putida elongation factor Tu (EF-Tu)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Elongation factor Tu-A, ...
Authors:Scotti, J.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-01-31
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
6AD4
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BU of 6ad4 by Molmil
Rat Xanthine oxidoreductase, D428A variant, NADH bound form
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Okamoto, K, Kawaguchi, Y.
Deposit date:2018-07-30
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rat Xanthine oxidoreductase, D428A variant, NAD bound form
To Be Published
3FXS
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BU of 3fxs by Molmil
Metal exchange in thermolysin
Descriptor: CALCIUM ION, GLYCEROL, RUTHENIUM ION, ...
Authors:Englert, L, Heine, A, Klebe, G.
Deposit date:2009-01-21
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Metal exchange in thermolysin
To be Published
6AHR
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BU of 6ahr by Molmil
Cryo-EM structure of human Ribonuclease P
Descriptor: H1 RNA, Ribonuclease P protein subunit p14, Ribonuclease P protein subunit p20, ...
Authors:Wu, J, Niu, S, Tan, M, Lan, P, Lei, M.
Deposit date:2018-08-20
Release date:2018-12-05
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Cryo-EM Structure of the Human Ribonuclease P Holoenzyme.
Cell, 175, 2018
4J3J
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BU of 4j3j by Molmil
Crystal Structure of DPP-IV with Compound C3
Descriptor: Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Authors:Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K.
Deposit date:2013-02-05
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors
Chemmedchem, 8, 2013
2VQG
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BU of 2vqg by Molmil
Crystal structure of PorB from Corynebacterium glutamicum (crystal form I)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol, ACETATE ION, ...
Authors:Ziegler, K, Benz, R, Schulz, G.E.
Deposit date:2008-03-15
Release date:2008-05-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A Putative Alpha-Helical Porin from Corynebacterium Glutamicum.
J.Mol.Biol., 379, 2008
6AJU
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BU of 6aju by Molmil
Rat Xanthine oxidoreductase
Descriptor: BICARBONATE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Okamoto, K, Kawaguchi, Y.
Deposit date:2018-08-28
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Rat Xanthine oxidoreductase, D428A variant, NAD bound form
To Be Published
2VS4
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BU of 2vs4 by Molmil
THE BINDING OF UDP-GALACTOSE BY AN ACTIVE SITE MUTANT OF alpha-1,3 GALACTOSYLTRANSFERASE (alpha3GT)
Descriptor: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
Authors:Tumbale, P, Jamaluddin, H, Thiyagarajan, N, Brew, K, Acharya, K.R.
Deposit date:2008-04-18
Release date:2008-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Basis of Udp-Galactose Binding by Alpha- 1,3-Galactosyltransferase (Alpha3Gt): Role of Negative Charge on Aspartic Acid 316 in Structure and Activity.
Biochemistry, 47, 2008
6ALQ
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BU of 6alq by Molmil
VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and succinate
Descriptor: ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ...
Authors:Dunham, N.P, Mitchell, A.J, Boal, A.K.
Deposit date:2017-08-08
Release date:2017-09-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase.
J. Am. Chem. Soc., 139, 2017
3G0D
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BU of 3g0d by Molmil
Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2
Descriptor: 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L.
Deposit date:2009-01-27
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
4YHV
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BU of 4yhv by Molmil
Yeast Prp3 C-terminal fragment 325-469
Descriptor: ACETIC ACID, U4/U6 small nuclear ribonucleoprotein PRP3
Authors:Liu, S, Wahl, M.C.
Deposit date:2015-02-27
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A composite double-/single-stranded RNA-binding region in protein Prp3 supports tri-snRNP stability and splicing.
Elife, 4, 2015
6ALV
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BU of 6alv by Molmil
Crystal structure of H107A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant (no CuH bound)
Descriptor: AZIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-08-08
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
6X3M
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BU of 6x3m by Molmil
Crystal structure of full-length Streptococcal bacteriophage hyaluronidase in complex with unsaturated hyaluronan octa-saccharides
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronoglucosaminidase
Authors:Deivanayagam, C, Schormann, N.
Deposit date:2020-05-21
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.581 Å)
Cite:Crystal Structure of Streptococcal Bacteriophage Hyaluronidase: Presence of a Prokaryotic Collagen and Elucidation of Catalytic Mechanism
To Be Published
5C5W
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BU of 5c5w by Molmil
1.25 A resolution structure of an RNA 20-mer
Descriptor: RNA (5'-R(P*CP*CP*UP*GP*AP*GP*UP*UP*CP*AP*AP*UP*UP*CP*UP*AP*GP*CP*G)-3')
Authors:Stewart, M, Valkov, E.
Deposit date:2015-06-22
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:1.25 angstrom resolution structure of an RNA 20-mer that binds to the TREX2 complex.
Acta Crystallogr.,Sect.F, 71, 2015
2VXO
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BU of 2vxo by Molmil
Human GMP synthetase in complex with XMP
Descriptor: GMP SYNTHASE [GLUTAMINE-HYDROLYZING], SULFATE ION, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Welin, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Wikstrom, M, Nordlund, P.
Deposit date:2008-07-08
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Specificity and Oligomerization of Human Gmp Synthetase
J.Mol.Biol., 425, 2013
6AM0
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BU of 6am0 by Molmil
Crystal structure of K. lactis Edc1-Dcp1-Dcp2-Edc3 decapping complex with synthetic cap substrate analog
Descriptor: KLLA0A01474p, KLLA0A11308p, KLLA0E01827p, ...
Authors:Mugridge, J.S, Gross, J.D.
Deposit date:2017-08-08
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structure of the activated Edc1-Dcp1-Dcp2-Edc3 mRNA decapping complex with substrate analog poised for catalysis.
Nat Commun, 9, 2018
6WQH
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BU of 6wqh by Molmil
Molecular basis for the ATPase-powered substrate translocation by the Lon AAA+ protease
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ig2 substrate, Lon protease, ...
Authors:Zhang, K, Li, S, Hsiehb, K, Sub, S, Pintilie, G, Chiu, W, Chang, C.
Deposit date:2020-04-28
Release date:2021-06-09
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular basis for ATPase-powered substrate translocation by the Lon AAA+ protease.
J.Biol.Chem., 297, 2021
5C9J
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BU of 5c9j by Molmil
Human CD1c with ligands in A' and F' channel
Descriptor: Beta-2-microglobulin, GLYCEROL, LAURIC ACID, ...
Authors:Tews, I, Machelett, M.M, Mansour, S, Gadola, S.D.
Deposit date:2015-06-27
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cholesteryl esters stabilize human CD1c conformations for recognition by self-reactive T cells.
Proc.Natl.Acad.Sci.USA, 113, 2016
4Y3N
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BU of 4y3n by Molmil
Endothiapepsin in complex with fragment 273
Descriptor: 2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide, ACETATE ION, Endothiapepsin, ...
Authors:Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4IFH
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BU of 4ifh by Molmil
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM44619
Descriptor: Insulin-degrading enzyme, N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide, ZINC ION
Authors:Liang, W.G, Guo, Q, Deprez, R, Deprez, B, Tang, W.
Deposit date:2012-12-14
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.286 Å)
Cite:Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015

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数据于2024-09-25公开中

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