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5KTO
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Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound quinolinate and Fe4S4 cluster
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Fenwick, M.K, Ealick, S.E.
Deposit date:2016-07-12
Release date:2016-07-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.442 Å)
Cite:Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
3S85
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Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611.
Descriptor: Protease/reverse transcriptase, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:DeGoey, D.A, Flosi, W.J, Grampovnik, D.J, Flentge, C.A.
Deposit date:2011-05-27
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
1PAF
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BU of 1paf by Molmil
THE 2.5 ANGSTROMS STRUCTURE OF POKEWEED ANTIVIRAL PROTEIN
Descriptor: POKEWEED ANTIVIRAL PROTEIN
Authors:Monzingo, A.F, Collins, E.J, Ernst, S.R, Irvin, J.D, Robertus, J.D.
Deposit date:1992-10-19
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The 2.5 A structure of pokeweed antiviral protein.
J.Mol.Biol., 233, 1993
5KLR
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BU of 5klr by Molmil
Prototypical P4[R]cNLS
Descriptor: Importin subunit alpha-1, Prototypical P4[R]cNLS
Authors:Smith, K.M, Forwood, J.K.
Deposit date:2016-06-25
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contribution of the residue at position 4 within classical nuclear localization signals to modulating interaction with importins and nuclear targeting.
Biochim Biophys Acta Mol Cell Res, 1865, 2018
1QMV
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BU of 1qmv by Molmil
thioredoxin peroxidase B from red blood cells
Descriptor: PEROXIREDOXIN-2
Authors:Isupov, M.N, Littlechild, J.A, Lebedev, A.A, Errington, N, Vagin, A.A, Schroder, E.
Deposit date:1999-10-07
Release date:2000-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Decameric 2-Cys Peroxiredoxin from Human Erythrocytes at 1.7 A Resolution.
Structure, 8, 2000
1QNL
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BU of 1qnl by Molmil
AMIDE RECEPTOR/NEGATIVE REGULATOR OF THE AMIDASE OPERON OF PSEUDOMONAS AERUGINOSA (AMIC) COMPLEXED WITH BUTYRAMIDE
Descriptor: ALIPHATIC AMIDASE EXPRESSION-REGULATING PROTEIN, BUTYRAMIDE
Authors:Pearl, L.H, O'Hara, B.P, Roe, S.M.
Deposit date:1999-10-19
Release date:1999-12-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Adaptation to Selective Pressure for Altered Ligand Specificity in the Pseudomonas Aeruginosa Amide Receptor, Amic
Protein Eng., 13, 2000
1CDK
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BU of 1cdk by Molmil
CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C
Descriptor: CAMP-DEPENDENT PROTEIN KINASE, MANGANESE (II) ION, MYRISTIC ACID, ...
Authors:Bossemeyer, D, Engh, R.A, Kinzel, V, Ponstingl, H, Huber, R.
Deposit date:1994-07-04
Release date:1995-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphotransferase and substrate binding mechanism of the cAMP-dependent protein kinase catalytic subunit from porcine heart as deduced from the 2.0 A structure of the complex with Mn2+ adenylyl imidodiphosphate and inhibitor peptide PKI(5-24).
EMBO J., 12, 1993
1R2S
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BU of 1r2s by Molmil
CRYSTAL STRUCTURE OF RABBIT MUSCLE TRIOSEPHOSPHATE ISOMERASE
Descriptor: Triosephosphate isomerase
Authors:Aparicio, R, Ferreira, S.T, Polikarpov, I.
Deposit date:2003-09-29
Release date:2003-12-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Closed conformation of the active site loop of rabbit muscle triosephosphate isomerase in the absence of substrate: evidence of conformational heterogeneity.
J.Mol.Biol., 334, 2003
1R2T
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BU of 1r2t by Molmil
CRYSTAL STRUCTURE OF RABBIT MUSCLE TRIOSEPHOSPHATE ISOMERASE
Descriptor: Triosephosphate isomerase
Authors:Aparicio, R, Ferreira, S.T, Polikarpov, I.
Deposit date:2003-09-29
Release date:2003-12-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Closed conformation of the active site loop of rabbit muscle triosephosphate isomerase in the absence of substrate: evidence of conformational heterogeneity.
J.Mol.Biol., 334, 2003
1O7M
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BU of 1o7m by Molmil
NAPHTHALENE 1,2-DIOXYGENASE, BINARY COMPLEX WITH DIOXYGEN
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Karlsson, A, Parales, J.V, Parales, R.E, Gibson, D.T, Eklund, H, Ramaswamy, S.
Deposit date:2002-11-11
Release date:2003-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Naphthalene Dioxygenase: Side-on Binding of Dioxygen to Iron
Science, 299, 2003
1FO0
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BU of 1fo0 by Molmil
MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX
Descriptor: NATURALLY PROCESSED OCTAPEPTIDE PBM1, PROTEIN (ALLOGENEIC H-2KB MHC CLASS I MOLECULE), PROTEIN (BETA-2 MICROGLOBULIN), ...
Authors:Reiser, J.B, Darnault, C, Guimezanes, A, Gregoire, C, Mosser, T, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Malissen, B, Housset, D, Mazza, G.
Deposit date:2000-08-24
Release date:2000-10-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a T cell receptor bound to an allogeneic MHC molecule.
Nat.Immunol., 1, 2000
3TIZ
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BU of 3tiz by Molmil
CDK2 in complex with NSC 111848
Descriptor: 1,2-ETHANEDIOL, 1-{(E)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol, Cyclin-dependent kinase 2
Authors:Alam, R, Schonbrunn, E.
Deposit date:2011-08-22
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
1OCX
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BU of 1ocx by Molmil
E. coli maltose-O-acetyltransferase
Descriptor: MALTOSE O-ACETYLTRANSFERASE, TRIMETHYL LEAD ION
Authors:Lo Leggio, L, Dal Degan, F, Poulsen, P, Larsen, S.
Deposit date:2003-02-11
Release date:2003-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Structure and Specificity of Escherichia Coli Maltose Acetyltransferase Give New Insight Into the Laca Family of Acyltransferases.
Biochemistry, 42, 2003
1FKC
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BU of 1fkc by Molmil
HUMAN PRION PROTEIN (MUTANT E200K) FRAGMENT 90-231
Descriptor: PRION PROTEIN
Authors:Zhang, Y, Swietnicki, W, Zagorski, M.G, Surewicz, W.K, Soennichsen, F.D.
Deposit date:2000-08-09
Release date:2000-09-21
Last modified:2018-03-14
Method:SOLUTION NMR
Cite:Solution structure of the E200K variant of human prion protein. Implications for the mechanism of pathogenesis in familial prion diseases.
J.Biol.Chem., 275, 2000
1XIO
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BU of 1xio by Molmil
Anabaena sensory rhodopsin
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ANABAENA SENSORY RHODOPSIN, RETINAL
Authors:Vogeley, L, Luecke, H.
Deposit date:2004-09-21
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Anabaena sensory rhodopsin: a photochromic color sensor at 2.0 A.
Science, 306, 2004
3QHR
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BU of 3qhr by Molmil
Structure of a pCDK2/CyclinA transition-state mimic
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CDK2 substrate peptide: PKTPKKAKKL, CHLORIDE ION, ...
Authors:Young, M.A, Jacobsen, D.M, Bao, Z.Q.
Deposit date:2011-01-26
Release date:2011-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Briefly Bound to Activate: Transient Binding of a Second Catalytic Magnesium Activates the Structure and Dynamics of CDK2 Kinase for Catalysis.
Structure, 19, 2011
1OJT
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BU of 1ojt by Molmil
STRUCTURE OF DIHYDROLIPOAMIDE DEHYDROGENASE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SURFACE PROTEIN
Authors:Li De La Sierra, I, Prange, T, Pernot, L.
Deposit date:1996-09-06
Release date:1997-10-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Molecular structure of the lipoamide dehydrogenase domain of a surface antigen from Neisseria meningitidis.
J.Mol.Biol., 269, 1997
1OP0
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BU of 1op0 by Molmil
Crystal Structure of AaV-SP-I, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase
Authors:Zhu, Z, Teng, M, Niu, L.
Deposit date:2003-03-04
Release date:2004-05-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases
J.BIOL.CHEM., 280, 2005
1Y8P
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BU of 1y8p by Molmil
Crystal structure of the PDK3-L2 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DIHYDROLIPOIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, ...
Authors:Kato, M, Chuang, J.L, Wynn, R.M, Chuang, D.T.
Deposit date:2004-12-13
Release date:2005-05-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Crystal structure of pyruvate dehydrogenase kinase 3 bound to lipoyl domain 2 of human pyruvate dehydrogenase complex.
Embo J., 24, 2005
1AF9
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BU of 1af9 by Molmil
TETANUS NEUROTOXIN C FRAGMENT
Descriptor: TETANUS NEUROTOXIN
Authors:Umland, T.C, Wingert, L, Swaminathan, S, Furey, W.F, Schmidt, J.J, Sax, M.
Deposit date:1997-03-24
Release date:1998-04-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the receptor binding fragment HC of tetanus neurotoxin.
Nat.Struct.Biol., 4, 1997
1OXT
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BU of 1oxt by Molmil
Crystal structure of GlcV, the ABC-ATPase of the glucose ABC transporter from Sulfolobus solfataricus
Descriptor: ABC transporter, ATP binding protein
Authors:Verdon, G, Albers, S.V, Dijkstra, B.W, Driessen, A.J, Thunnissen, A.M.
Deposit date:2003-04-03
Release date:2003-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the ATPase subunit of the glucose ABC transporter from Sulfolobus solfataricus: nucleotide-free and nucleotide-bound conformations
J.Mol.Biol., 330, 2003
1OMQ
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BU of 1omq by Molmil
Structure of penetratin in bicellar solution
Descriptor: Homeotic antennapedia protein
Authors:Lindberg, M, Biverstahl, H, Graslund, A, Maler, L.
Deposit date:2003-02-26
Release date:2003-07-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and positioning comparison of two variants of penetratin in two different membrane mimicking systems by NMR
Eur.J.Biochem., 270, 2003
3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
Authors:Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
2OO4
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BU of 2oo4 by Molmil
Structure of LNR-HD (Negative Regulatory Region) from human Notch 2
Descriptor: CALCIUM ION, GLYCEROL, Neurogenic locus notch homolog protein 2, ...
Authors:Gordon, W.R, Vardar-Ulu, D, Histen, G, Sanchez-Irizarry, C, Aster, J.C, Blacklow, S.C.
Deposit date:2007-01-25
Release date:2007-04-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural basis for autoinhibition of Notch
Nat.Struct.Mol.Biol., 14, 2007
2ORQ
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BU of 2orq by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex
Descriptor: 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007

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