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4DPE
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BU of 4dpe by Molmil
Structure of MMP3 complexed with a platinum-based inhibitor.
Descriptor: CALCIUM ION, CHLORIDE ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D.
Deposit date:2012-02-13
Release date:2013-02-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of matrix metalloproteinase-3 with a platinum-based inhibitor.
Chem.Commun.(Camb.), 49, 2013
2RAR
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BU of 2rar by Molmil
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
Descriptor: MAGNESIUM ION, Putative uncharacterized protein, oxido(dioxo)vanadium
Authors:Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2007-09-17
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4H27
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BU of 4h27 by Molmil
Modulating the function of human serine racemase and human serine dehydratase by protein engineering
Descriptor: L-serine dehydratase/L-threonine deaminase, SULFATE ION
Authors:Wang, C.Y, Wang, A.H.
Deposit date:2012-09-12
Release date:2012-11-14
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Modulating the function of human serine racemase and human serine dehydratase by protein engineering.
Protein Eng.Des.Sel., 25, 2012
3FIB
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BU of 3fib by Molmil
RECOMBINANT HUMAN GAMMA-FIBRINOGEN CARBOXYL TERMINAL FRAGMENT (RESIDUES 143-411) BOUND TO CALCIUM AT PH 6.0: A FURTHER REFINEMENT OF PDB ENTRY 1FIB, AND DIFFERS FROM 1FIB BY THE MODELLING OF A CIS PEPTIDE BOND BETWEEN RESIDUES K338 AND C339
Descriptor: CALCIUM ION, FIBRINOGEN GAMMA CHAIN RESIDUES
Authors:Pratt, K.P, Cote, H.C.F, Chung, D.W, Stenkamp, R.E, Davie, E.W.
Deposit date:1997-07-14
Release date:1997-09-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The primary fibrin polymerization pocket: three-dimensional structure of a 30-kDa C-terminal gamma chain fragment complexed with the peptide Gly-Pro-Arg-Pro.
Proc.Natl.Acad.Sci.USA, 94, 1997
2I9S
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BU of 2i9s by Molmil
The solution structure of the core of mesoderm development (MESD).
Descriptor: Mesoderm development candidate 2
Authors:Koehler, C, Andersen, O, Diehl, A, Schmieder, P, Krause, G, Oschkinat, H.
Deposit date:2006-09-06
Release date:2007-05-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structure of the core of mesoderm development (MESD), a chaperone for members of the LDLR-family
J.STRUCT.FUNCT.GENOM., 7, 2006
3GC7
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BU of 3gc7 by Molmil
The structure of p38alpha in complex with a dihydroquinazolinone
Descriptor: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one, Mitogen-activated protein kinase 14
Authors:Scapin, G, Patel, S.B.
Deposit date:2009-02-21
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The three-dimensional structure of MAP kinase p38beta: different features of the ATP-binding site in p38beta compared with p38alpha.
Acta Crystallogr.,Sect.D, 65, 2009
2HK7
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BU of 2hk7 by Molmil
Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with mercury at 2.5 angstrom resolution
Descriptor: MERCURY (II) ION, Shikimate dehydrogenase
Authors:Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X.
Deposit date:2006-07-03
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
3F5U
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BU of 3f5u by Molmil
Crystal structure of the death associated protein kinase in complex with AMPPNP and Mg2+
Descriptor: Death-associated protein kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
Deposit date:2008-11-04
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
3F9Q
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BU of 3f9q by Molmil
Re-refinement of uncomplexed plasmepsin II from Plasmodium falciparum.
Descriptor: Plasmepsin-2
Authors:Robbins, A.H, Mckenna, R.
Deposit date:2008-11-14
Release date:2009-03-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic evidence for noncoplanar catalytic aspartic acids in plasmepsin II resides in the Protein Data Bank.
Acta Crystallogr.,Sect.D, 65, 2009
3PH9
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BU of 3ph9 by Molmil
Crystal structure of the human anterior gradient protein 3
Descriptor: Anterior gradient protein 3 homolog
Authors:Nguyen, V.D, Ruddock, L.W, Salin, M, Wierenga, R.K.
Deposit date:2010-11-03
Release date:2011-10-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of human anterior gradient protein 3.
Acta Crystallogr.,Sect.F, 74, 2018
3GC9
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BU of 3gc9 by Molmil
The structure of p38beta C119S, C162S in complex with a dihydroquinazolinone inhibitor
Descriptor: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one, Mitogen-activated protein kinase 11, SODIUM ION, ...
Authors:Scapin, G, Patel, S.B.
Deposit date:2009-02-21
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The three-dimensional structure of MAP kinase p38beta: different features of the ATP-binding site in p38beta compared with p38alpha.
Acta Crystallogr.,Sect.D, 65, 2009
4E1B
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BU of 4e1b by Molmil
Re-refinement of PDB entry 2EQA - SUA5 protein from Sulfolobus tokodaii with bound threonylcarbamoyladenylate
Descriptor: MAGNESIUM ION, YrdC/Sua5 family protein, threonylcarbamoyladenylate
Authors:Parthier, C, Goerlich, S, Jaenecke, F, Breithaupt, C, Braeuer, U, Fandrich, U, Clausnitzer, D, Wehmeier, U.F, Boettcher, C, Scheel, D, Stubbs, M.T.
Deposit date:2012-03-06
Release date:2012-03-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
3HPF
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BU of 3hpf by Molmil
Crystal structure of the mutant Y90F of divergent galactarate dehydratase from Oceanobacillus iheyensis complexed with Mg and galactarate
Descriptor: D-galactaric acid, MAGNESIUM ION, Muconate cycloisomerase
Authors:Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Gerlt, J.A, Almo, S.C.
Deposit date:2009-06-04
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
1R4S
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BU of 1r4s by Molmil
URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH ITS INHIBITOR 9-METHYL URIC ACID
Descriptor: 9-METHYL URIC ACID, CYSTEINE, Uricase
Authors:Retailleau, P, Colloc'h, N, Prange, T.
Deposit date:2003-10-08
Release date:2004-03-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode.
Acta Crystallogr.,Sect.D, 60, 2004
3PMO
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BU of 3pmo by Molmil
The structure of LpxD from Pseudomonas aeruginosa at 1.3 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] glucosamine N-acyltransferase
Authors:Badger, J, Chie-Leon, B, Logan, C, Sridhar, V, Sankaran, B, Zwart, P.H, Nienaber, V.
Deposit date:2010-11-17
Release date:2011-07-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The structure of LpxD from Pseudomonas aeruginosa at 1.3 A resolution.
Acta Crystallogr.,Sect.F, 67, 2011
4IDW
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BU of 4idw by Molmil
Polycrystalline T6 Bovine Insulin: Anisotropic Lattice Evolution and Novel Structure Refinement Strategy
Descriptor: Insulin A chain, Insulin B chain, ZINC ION
Authors:Margiolaki, I, Giannopoulou, A.E, Wright, J.P, Knight, L, Norrman, M, Schluckebier, G, Fitch, A, Von Dreele, R.B.
Deposit date:2012-12-13
Release date:2013-06-05
Last modified:2024-10-30
Method:POWDER DIFFRACTION
Cite:High-resolution powder X-ray data reveal the T6 hexameric form of bovine insulin
Acta Crystallogr.,Sect.D, 69, 2013
2YN8
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BU of 2yn8 by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, STAUROSPORINE
Authors:Read, J, Brassington, C.A, Overmann, R.
Deposit date:2012-10-13
Release date:2013-10-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Stability and Solubility Engineering of the Ephb4 Tyrosine Kinase Catalytic Domain Using a Rationally Designed Synthetic Library.
Protein Eng.Des.Sel., 26, 2013
3SB2
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BU of 3sb2 by Molmil
Crystal Structure of the RNA chaperone Hfq from Herbaspirillum seropedicae SMR1
Descriptor: GLYCEROL, Protein hfq
Authors:Kadowaki, M.A.S, Iulek, J, Barbosa, J.A.R.G, Pedrosa, F.O, Souza, E.M, Chubatsu, L.S, Monteiro, R.A, Steffens, M.B.R.
Deposit date:2011-06-03
Release date:2012-01-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6301 Å)
Cite:Structural characterization of the RNA chaperone Hfq from the nitrogen-fixing bacterium Herbaspirillum seropedicae SmR1.
Biochim.Biophys.Acta, 1824, 2011
3H3F
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BU of 3h3f by Molmil
Rabbit muscle L-lactate dehydrogenase in complex with NADH and oxamate
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETATE ION, L-lactate dehydrogenase A chain, ...
Authors:Bujacz, A, Bujacz, G, Swiderek, K, Paneth, P.
Deposit date:2009-04-16
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Modeling of isotope effects on binding oxamate to lactic dehydrogenase
J.Phys.Chem.B, 113, 2009
4I8N
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BU of 4i8n by Molmil
CRYSTAL STRUCTURE of PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN INHIBITOR [(4-{(2S)-2-(1,3-BENZOXAZOL-2-YL)-2-[(4-FLUOROPHENYL)SULFAMOYL]ETHYL}PHENYL)AMINO](OXO)ACETIC ACID
Descriptor: Tyrosine-protein phosphatase non-receptor type 1, [(4-{(2S)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid
Authors:Reddy, S.M.V.V.V, Rao, K.N, Subramanya, H.
Deposit date:2012-12-03
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-Ray Structure of PTP1B in Complex with a New PTP1B Inhibitor.
Protein Pept.Lett., 21, 2014
2YEX
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BU of 2yex by Molmil
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
Descriptor: 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A.
Deposit date:2011-03-31
Release date:2012-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2GZS
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BU of 2gzs by Molmil
Enterobactin Hydolase IroE Complex with DFP
Descriptor: DIISOPROPYL PHOSPHONATE, IroE protein
Authors:Larsen, N.A, Walsh, C.T.
Deposit date:2006-05-12
Release date:2006-09-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Characterization of Enterobactin Hydrolase IroE.
Biochemistry, 45, 2006
5OFT
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BU of 5oft by Molmil
Structural basis for OXA-48 dimerization
Descriptor: Beta-lactamase
Authors:Lund, B.A, Nesheim, B.H.B, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
2ZT9
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BU of 2zt9 by Molmil
Crystal Structure of the Cytochrome b6f Complex from Nostoc sp. PCC 7120
Descriptor: (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, Apocytochrome f, ...
Authors:Craner, W.A, Baniulis, D, Yamashita, E.
Deposit date:2008-09-27
Release date:2009-02-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Function, Stability, and Chemical Modification of the Cyanobacterial Cytochrome b6f Complex from Nostoc sp. PCC 7120
J.Biol.Chem., 284, 2009
3FYY
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BU of 3fyy by Molmil
Crystal structure of divergent enolase from Oceanobacillus iheyensis complexed with Mg
Descriptor: MAGNESIUM ION, Muconate cycloisomerase
Authors:Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-01-23
Release date:2009-02-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009

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