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1ARM
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BU of 1arm by Molmil
CARBOXYPEPTIDASE A WITH ZN REPLACED BY HG
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, HG-CARBOXYPEPTIDASE A=ALPHA= (COX), ...
Authors:Greenblatt, H.M, Feinberg, H, Tucker, P.A, Shoham, G.
Deposit date:1994-11-22
Release date:1996-08-17
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Carboxypeptidase A: native, zinc-removed and mercury-replaced forms.
Acta Crystallogr.,Sect.D, 54, 1998
1AY8
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BU of 1ay8 by Molmil
AROMATIC AMINO ACID AMINOTRANSFERASE COMPLEX WITH 3-PHENYLPROPIONATE
Descriptor: AROMATIC AMINO ACID AMINOTRANSFERASE, HYDROCINNAMIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Okamoto, A, Hirotsu, K, Kagamiyama, H.
Deposit date:1997-11-14
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of Paracoccus denitrificans aromatic amino acid aminotransferase: a substrate recognition site constructed by rearrangement of hydrogen bond network.
J.Mol.Biol., 280, 1998
2GG6
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BU of 2gg6 by Molmil
CP4 EPSP synthase liganded with S3P
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, SHIKIMATE-3-PHOSPHATE, SULFATE ION
Authors:Schonbrunn, E, Funke, T.
Deposit date:2006-03-23
Release date:2006-08-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GGD
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BU of 2ggd by Molmil
CP4 EPSP synthase Ala100Gly liganded with S3P and Glyphosate
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, GLYPHOSATE, SHIKIMATE-3-PHOSPHATE
Authors:Schonbrunn, E, Funke, T.
Deposit date:2006-03-23
Release date:2006-08-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GG4
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BU of 2gg4 by Molmil
CP4 EPSP synthase (unliganded)
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase
Authors:Schonbrunn, E, Funke, T.
Deposit date:2006-03-23
Release date:2006-08-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1LUG
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BU of 1lug by Molmil
Full Matrix Error Analysis of Carbonic Anhydrase
Descriptor: (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER, Carbonic Anhydrase II, GLYCEROL, ...
Authors:Merritt, E.A, Le Trong, I, Behnke, C.A.
Deposit date:2002-05-22
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Atomic resolution studies of carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 66, 2010
4OWL
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BU of 4owl by Molmil
Crystal Structure of the Vibrio vulnificus Hemolysin/Cytolysin Beta-Trefoil Lectin with N-Acetyl-D-Lactosamine Bound
Descriptor: Cytolysin, GLYCEROL, beta-D-galactopyranose, ...
Authors:Kaus, K, Olson, R.
Deposit date:2014-02-02
Release date:2014-05-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Glycan Specificity of the Vibrio vulnificus Hemolysin Lectin Outlines Evolutionary History of Membrane Targeting by a Toxin Family.
J.Mol.Biol., 426, 2014
1EIO
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BU of 1eio by Molmil
ILEAL LIPID BINDING PROTEIN IN COMPLEX WITH GLYCOCHOLATE
Descriptor: GLYCOCHOLIC ACID, ILEAL LIPID BINDING PROTEIN
Authors:Luecke, C, Zhang, F, Hamilton, J.A, Sacchettini, J.C, Rueterjans, H.
Deposit date:2000-02-27
Release date:2000-05-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of ileal lipid binding protein in complex with glycocholate.
Eur.J.Biochem., 267, 2000
3UPM
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BU of 3upm by Molmil
Crystal Structure of PTE mutant H254Q/H257F/K185R/I274N
Descriptor: COBALT (II) ION, Parathion hydrolase
Authors:Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M.
Deposit date:2011-11-18
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
4AY9
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BU of 4ay9 by Molmil
Structure of follicle-stimulating hormone in complex with the entire ectodomain of its receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLLICLE-STIMULATING HORMONE RECEPTOR, FOLLITROPIN SUBUNIT BETA, ...
Authors:Jiang, X, Liu, H, Chen, X, He, X.
Deposit date:2012-06-19
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Follicle-Stimulating Hormone in Complex with the Entire Ectodomain of its Receptor.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GFR
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BU of 4gfr by Molmil
Crystal Structure of the liganded Chitin Oligasaccharide Binding Protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MANGANESE (II) ION, Peptide ABC transporter, ...
Authors:Xu, S, Li, X, Gu, L, Roseman, R, Stock, A.M.
Deposit date:2012-08-03
Release date:2013-08-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chitin catabolic cascade in the marine bacterium Vibrio cholerae: properties, structure and functions of a periplasmic chitooligosaccharide binding protein (CBP)
To be Published
4AW4
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BU of 4aw4 by Molmil
Engineered variant of Listeria monocytogenes InlB internalin domain with an additional leucine rich repeat inserted
Descriptor: GLYCEROL, INTERNALIN B, SULFATE ION
Authors:Niemann, H.H, Heinz, D.W.
Deposit date:2012-05-31
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Engineered Variants of Inlb with an Additional Leucine-Rich Repeat Discriminate between Physiologically Relevant and Packing Contacts in Crystal Structures of the Inlb:Met Complex.
Protein Sci., 21, 2012
1RGZ
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BU of 1rgz by Molmil
Enterobacter cloacae GC1 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime
Descriptor: GLYCEROL, class C beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID
Authors:Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R.
Deposit date:2003-11-13
Release date:2004-04-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Hydrolysis of third-generation cephalosporins by class C beta-lactamases. Structures of a transition state analog of cefotoxamine in wild-type and extended spectrum enzymes.
J.Biol.Chem., 279, 2004
1WN2
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BU of 1wn2 by Molmil
Crystal structure of project ID PH1539 from Pyrococcus horikoshii OT3
Descriptor: Peptidyl-tRNA hydrolase, SODIUM ION
Authors:Shimizu, K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-07-26
Release date:2005-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of peptidyl-tRNA hydrolase 2 from Pyrococcus horikoshii OT3: insight into the functional role of its dimeric state.
Acta Crystallogr.,Sect.D, 64, 2008
2QJM
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BU of 2qjm by Molmil
Crystal structure of the K271E mutant of Mannonate dehydratase from Novosphingobium aromaticivorans complexed with Mg and D-mannonate
Descriptor: D-MANNONIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors:Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Vick, J.E, Gerlt, J.A, Almo, S.C.
Deposit date:2007-07-08
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evolution of enzymatic activities in the enolase superfamily: D-Mannonate dehydratase from Novosphingobium aromaticivorans.
Biochemistry, 46, 2007
1ZEO
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BU of 1zeo by Molmil
Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with an Alpha-Aryloxyphenylacetic Acid Agonist
Descriptor: (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE, Peroxisome proliferator activated receptor gamma
Authors:Shi, G.Q, Dropinski, J.F, McKeever, B.M, Adams, A.D, MacNaul, K.L, Elbrecht, A, Berger, J.P, Zhou, G, Doebber, T.W.
Deposit date:2005-04-19
Release date:2006-04-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design and Synthesis of alpha-Aryloxyphenylacetic Acid Derivatives: A Novel Class of PPAR alpha/gamma Dual Agonists with Potent Antihyperglycemic and Lipid Modulating Activity
J.Med.Chem., 48, 2005
3HLD
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BU of 3hld by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant complex with monacolin J acid
Descriptor: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, FORMIC ACID, Transesterase
Authors:Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
Deposit date:2009-05-27
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
1WET
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BU of 1wet by Molmil
STRUCTURE OF THE PURR-GUANINE-PURF OPERATOR COMPLEX
Descriptor: DNA (5'-D(*AP*AP*CP*GP*AP*AP*AP*AP*CP*GP*TP*TP*TP*TP*CP*GP*T )-3'), GUANINE, PROTEIN (PURINE REPRESSOR)
Authors:Schumacher, M.A, Glasfeld, A, Zalkin, H, Brennan, R.G.
Deposit date:1997-04-27
Release date:1997-11-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The X-ray structure of the PurR-guanine-purF operator complex reveals the contributions of complementary electrostatic surfaces and a water-mediated hydrogen bond to corepressor specificity and binding affinity.
J.Biol.Chem., 272, 1997
1X1I
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BU of 1x1i by Molmil
Crystal Structure of Xanthan Lyase (N194A) Complexed with a Product
Descriptor: (4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-2-CARBOXYLIC ACID, xanthan lyase
Authors:Maruyama, Y, Hashimoto, W, Mikami, B, Murata, K.
Deposit date:2005-04-04
Release date:2005-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Bacillus sp. GL1 Xanthan Lyase Complexed with a Substrate: Insights into the Enzyme Reaction Mechanism
J.Mol.Biol., 350, 2005
1BQ1
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BU of 1bq1 by Molmil
E. COLI THYMIDYLATE SYNTHASE MUTANT N177A IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M.
Deposit date:1998-08-20
Release date:1999-05-18
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer.
J.Mol.Biol., 284, 1998
1BXM
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BU of 1bxm by Molmil
ENGINEERED BETA-CRYPTOGEIN COMPLEXED WITH ERGOSTEROL
Descriptor: BETA-CRYPTOGEIN, ERGOSTEROL
Authors:Boissy, G, Brunie, S.
Deposit date:1998-10-05
Release date:1999-06-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The 2.1 A structure of an elicitin-ergosterol complex: a recent addition to the Sterol Carrier Protein family.
Protein Sci., 8, 1999
2BLZ
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BU of 2blz by Molmil
RNAse after a high dose X-ray "burn"
Descriptor: CHLORIDE ION, RIBONUCLEASE PANCREATIC
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
5LAW
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BU of 5law by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14
Descriptor: 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Kessler, D, Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAZ
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BU of 5laz by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252
Descriptor: 4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ...
Authors:Kessler, D, Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
8SLX
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BU of 8slx by Molmil
Rat TRPV2 bound with 1 CBD ligand in nanodiscs
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 2, cannabidiol
Authors:Tan, X, Swartz, K.J.
Deposit date:2023-04-24
Release date:2023-05-31
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Cannabidiol sensitizes TRPV2 channels to activation by 2-APB.
Elife, 12, 2023

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