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1TMG
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BU of 1tmg by Molmil
crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59F mutant
Descriptor: CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ...
Authors:Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E.
Deposit date:2004-06-10
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
2ICZ
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BU of 2icz by Molmil
NMR Structures of the Expanded DNA 10bp xTGxTAxCxGCxAxGT:xACTxGCGxTAxCA
Descriptor: 5'-D(*(XAE)P*CP*TP*(XGA)P*CP*GP*(XTY)P*AP*(XCS)P*A)-3', 5'-D(*(XTY)P*GP*(XTY)P*AP*(XCS)P*(XGA)P*CP*(XAE)P*(XGA)P*T)-3'
Authors:Lynch, S.R.
Deposit date:2006-09-13
Release date:2006-11-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Toward a Designed, Functioning Genetic System with Expanded-Size Base Pairs: Solution Structure of the Eight-Base xDNA Double Helix.
J.Am.Chem.Soc., 128, 2006
2IDU
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BU of 2idu by Molmil
Structure of M98Q mutant of amicyanin, Cu(I)
Descriptor: Amicyanin, COPPER (I) ION
Authors:Carrell, C.J, Ma, J.K, Antholine, W, Hosler, J.P, Mathews, F.S, Davidson, V.L.
Deposit date:2006-09-15
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Generation of Novel Copper Sites by Mutation of the Axial Ligand of Amicyanin. Atomic Resolution Structures and Spectroscopic Properties
Biochemistry, 46, 2007
2IHB
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BU of 2ihb by Molmil
Crystal structure of the heterodimeric complex of human RGS10 and activated Gi alpha 3
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, MAGNESIUM ION, ...
Authors:Soundararajan, M, Turnbull, A.P, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Ugochukwu, E, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-09-26
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1NRM
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BU of 1nrm by Molmil
Gramicidin A in Dodecyl Phosphocholine Micelles (NMR)
Descriptor: GRAMICIDIN A
Authors:Townsley, L.E, Hinton, J.F.
Deposit date:2003-01-25
Release date:2003-02-04
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The Three-Dimensional Structure of Gramicidin Analogs in Micellar Environments Determined Using Two-Dimensional Nuclear Magnetic Resonance Spectroscopic Techniques
Phd Thesis, 2000
1UBN
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BU of 1ubn by Molmil
SELENOSUBTILISIN BPN
Descriptor: CALCIUM ION, PROTEIN (SELENOSUBTILISIN BPN)
Authors:McRee, D.E, McTigue, M, Hilvert, D.
Deposit date:1999-06-02
Release date:1999-06-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Electric fields in active sites: substrate switching from null to strong fields in thiol- and selenol-subtilisins.
Biochemistry, 38, 1999
1NPG
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BU of 1npg by Molmil
MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH NITROSOETHANE
Descriptor: Myoglobin, NITROSOETHANE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, West, A.H, Richter-Addo, G.B.
Deposit date:2003-01-17
Release date:2003-11-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of ferrous horse heart myoglobin complexed with nitric oxide and nitrosoethane.
Proteins, 53, 2003
2J8J
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BU of 2j8j by Molmil
Solution Structure of the A4 Domain of Blood Coagulation Factor XI
Descriptor: COAGULATION FACTOR XI
Authors:Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H.
Deposit date:2006-10-25
Release date:2007-10-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
1NG8
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BU of 1ng8 by Molmil
G15-Gramicidin A in Sodium Dodecyl Sulfate Micelles (NMR)
Descriptor: GRAMICIDIN A
Authors:Sham, S.S, Townsley, L.E, Hinton, J.F.
Deposit date:2002-12-17
Release date:2002-12-31
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The Structure, Cation Binding, Transport and Conductance of Gly15-Gramicidin a Incorporated Into Sds Micelles and Pc/Pg Vesicles
Biochemistry, 42, 2003
1U3V
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BU of 1u3v by Molmil
Crystal Structure of Human Alcohol Dehydrogenase Beta-1-Beta-1 Isoform Complexed with N-Heptylformamide Determined to 1.65 Angstrom Resolution
Descriptor: Alcohol dehydrogenase beta chain, HEPTYLFORMAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Gibbons, B.J, Hurley, T.D.
Deposit date:2004-07-23
Release date:2004-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of three class I human alcohol dehydrogenases complexed with isoenzyme specific formamide inhibitors
Biochemistry, 43, 2004
1X1W
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BU of 1x1w by Molmil
Water-mediate interaction at aprotein-protein interface
Descriptor: Barstar, Ribonuclease
Authors:Ikura, T, Urakubo, Y, Ito, N.
Deposit date:2005-04-14
Release date:2005-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Water-mediated interaction at a protein-protein interface
Chem.Phys., 307, 2004
2J8L
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BU of 2j8l by Molmil
FXI Apple 4 domain loop-out conformation
Descriptor: COAGULATION FACTOR XI
Authors:Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H.
Deposit date:2006-10-25
Release date:2007-10-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
4EMN
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BU of 4emn by Molmil
Crystal structure of RpfB catalytic domain in complex with benzamidine
Descriptor: BENZAMIDINE, Probable resuscitation-promoting factor rpfB, SULFATE ION
Authors:Ruggiero, A, Marchant, J, Squeglia, F, Makarov, V, De Simone, A, Berisio, R.
Deposit date:2012-04-12
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis.
J.Biomol.Struct.Dyn., 31, 2013
2IZQ
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BU of 2izq by Molmil
Gramicidin D complex with KI
Descriptor: GRAMICIDIN D, IODIDE ION, METHANOL, ...
Authors:Olczak, A, Glowka, M.L, Szczesio, M, Bojarska, J, Duax, W.L, Burkhart, B.M, Wawrzak, Z.
Deposit date:2006-07-26
Release date:2007-01-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Nonstoichiometric Complex of Gramicidin D with Ki at 0.80 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007
3KCH
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BU of 3kch by Molmil
Baranase crosslinked by glutaraldehyde
Descriptor: PENTANEDIAL, Ribonuclease
Authors:Prange, T, Salem, M, Mauguen, Y.
Deposit date:2009-10-21
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Revisiting glutaraldehyde cross-linking: the case of the Arg-Lys intermolecular doublet
Acta Crystallogr.,Sect.F, 66, 2010
6L8Q
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BU of 6l8q by Molmil
Complex structure of bat CD26 and MERS-RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Yuan, Y.
Deposit date:2019-11-07
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular Basis of Binding between Middle East Respiratory Syndrome Coronavirus and CD26 from Seven Bat Species.
J.Virol., 94, 2020
3WJM
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BU of 3wjm by Molmil
Crystal structure of Bombyx mori Sp2/Sp3 heterohexamer
Descriptor: Arylphorin, Silkworm storage protein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yuan, Y.A, Hou, Y.
Deposit date:2013-10-11
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Bombyx mori arylphorins reveals a 3:3 heterohexamer with multiple papain cleavage sites
Protein Sci., 23, 2014
3L54
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BU of 3l54 by Molmil
Structure of Pi3K gamma with inhibitor
Descriptor: 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Elkins, P.A, Smallwood, A.M.
Deposit date:2009-12-21
Release date:2010-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
5IN4
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BU of 5in4 by Molmil
Crystal Structure of GDP-mannose 4,6 dehydratase bound to a GDP-fucose based inhibitor
Descriptor: GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sickmier, E.A.
Deposit date:2016-03-07
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Facile Modulation of Antibody Fucosylation with Small Molecule Fucostatin Inhibitors and Cocrystal Structure with GDP-Mannose 4,6-Dehydratase.
Acs Chem.Biol., 11, 2016
2K21
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BU of 2k21 by Molmil
NMR structure of human KCNE1 in LMPG micelles at pH 6.0 and 40 degree C
Descriptor: Potassium voltage-gated channel subfamily E member
Authors:Kang, C, Tian, C, Sonnichsen, F.D, Smith, J.A, Meiler, J, George, A.L, Vanoye, C.G, Sanders, C.R, Kim, H.
Deposit date:2008-03-19
Release date:2008-12-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of KCNE1 and implications for how it modulates the KCNQ1 potassium channel.
Biochemistry, 47, 2008
4E0L
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BU of 4e0l by Molmil
FYLLYYT segment from human Beta 2 Microglobulin (62-68) displayed on 54-membered macrocycle scaffold
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide FYLLYYT(ORN)KN(HAO)SA(ORN)
Authors:Zhao, M, Liu, C, Michael, S.R, Eisenberg, D.
Deposit date:2012-03-04
Release date:2012-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
1W5H
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BU of 1w5h by Molmil
An anti-parallel four helix bundle.
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
Deposit date:2004-08-06
Release date:2004-09-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution.
Biochemistry, 45, 2006
1U3U
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BU of 1u3u by Molmil
Crystal Structure of Human Alcohol Dehydrogenase Beta-1-Beta-1 Isoform Complexed with N-Benzylformamide Determined to 1.6 Angstrom Resolution
Descriptor: Alcohol dehydrogenase beta chain, N-BENZYLFORMAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Gibbons, B.J, Hurley, T.D.
Deposit date:2004-07-23
Release date:2004-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of three class I human alcohol dehydrogenases complexed with isoenzyme specific formamide inhibitors
Biochemistry, 43, 2004
3JYU
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BU of 3jyu by Molmil
Crystal structure of the N-terminal domains of the ubiquitin specific peptidase 4 (USP4)
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Ubiquitin carboxyl-terminal hydrolase
Authors:Bacik, J.P, Avvakumov, G, Walker, J.R, Xue, S, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-09-22
Release date:2009-10-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structure of the N-terminal domains of the ubiquitin specific peptidase 4 (USP4)
To be Published
3ZN8
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BU of 3zn8 by Molmil
Structural Basis of Signal Sequence Surveillance and Selection by the SRP-SR Complex
Descriptor: 4.5 S RNA, DIPEPTIDYL AMINOPEPTIDASE B, MAGNESIUM ION, ...
Authors:von Loeffelholz, O, Knoops, K, Ariosa, A, Zhang, X, Karuppasamy, M, Huard, K, Schoehn, G, Berger, I, Shan, S.O, Schaffitzel, C.
Deposit date:2013-02-13
Release date:2013-03-06
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Structural Basis of Signal Sequence Surveillance and Selection by the Srp-Sr Complex
Nat.Struct.Mol.Biol., 20, 2013

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