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3FX2
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BU of 3fx2 by Molmil
COMPARISON OF THE CRYSTAL STRUCTURES OF A FLAVODOXIN IN ITS THREE OXIDATION STATES AT CRYOGENIC TEMPERATURES
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Watt, W, Watenpaugh, K.D.
Deposit date:1991-10-17
Release date:1993-10-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparison of the crystal structures of a flavodoxin in its three oxidation states at cryogenic temperatures.
J.Mol.Biol., 218, 1991
1CKI
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BU of 1cki by Molmil
RECOMBINANT CASEIN KINASE I DELTA TRUNCATION MUTANT CONTAINING RESIDUES 1-317
Descriptor: CASEIN KINASE I DELTA
Authors:Longenecker, K.L, Roach, P.J, Hurley, T.D.
Deposit date:1995-08-25
Release date:1995-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Three-dimensional structure of mammalian casein kinase I: molecular basis for phosphate recognition.
J.Mol.Biol., 257, 1996
1D5A
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BU of 1d5a by Molmil
CRYSTAL STRUCTURE OF AN ARCHAEBACTERIAL DNA POLYMERASE D.TOK. DEPOSITION OF SECOND NATIVE STRUCTURE AT 2.4 ANGSTROM
Descriptor: MAGNESIUM ION, PROTEIN (DNA POLYMERASE), SULFATE ION
Authors:Zhao, Y, Jeruzalmi, D, Leighton, L, Lasken, R, Kuriyan, J.
Deposit date:1999-10-06
Release date:2000-03-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an archaebacterial DNA polymerase.
Structure Fold.Des., 7, 1999
4NVB
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BU of 4nvb by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVM
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BU of 4nvm by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(1H-benzimidazol-1-yl)propanamide, Cytochrome c peroxidase, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
1NIW
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BU of 1niw by Molmil
Crystal structure of endothelial nitric oxide synthase peptide bound to calmodulin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Nitric-oxide synthase, ...
Authors:Aoyagi, M, Arvai, A.S, Tainer, J.A, Getzoff, E.D.
Deposit date:2002-12-26
Release date:2003-02-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for endothelial nitric oxide synthase binding to calmodulin
Embo J., 22, 2003
8DSN
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BU of 8dsn by Molmil
Peptidylglycine alpha hydroxylating monoxygenase, Q272A
Descriptor: COPPER (II) ION, GLYCEROL, Peptidylglycine alpha-amidating monooxygenase
Authors:Arias, R.J, Blackburn, N.J.
Deposit date:2022-07-22
Release date:2023-03-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:New structures reveal flexible dynamics between the subdomains of peptidylglycine monooxygenase. Implications for an open to closed mechanism.
Protein Sci., 32, 2023
1NHL
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BU of 1nhl by Molmil
SNAP-23N Structure
Descriptor: Synaptosomal-associated protein 23
Authors:Freedman, S.J, Song, H.K, Xu, Y, Eck, M.J.
Deposit date:2002-12-19
Release date:2003-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Homotetrameric Structure of the SNAP-23 N-terminal Coiled-coil Domain
J.Biol.Chem., 278, 2003
3CIK
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BU of 3cik by Molmil
Human GRK2 in Complex with Gbetagamma subunits
Descriptor: Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Tesmer, J.J.G, Lodowski, D.T.
Deposit date:2008-03-11
Release date:2009-02-17
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of human G protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol.
J.Med.Chem., 53, 2010
8DSL
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BU of 8dsl by Molmil
Peptidylglycine alpha hydroxylating monooxygenase, Q272E
Descriptor: COPPER (II) ION, GLYCEROL, Peptidylglycine alpha-amidating monooxygenase
Authors:Arias, R.J, Blackburn, N.J.
Deposit date:2022-07-22
Release date:2023-03-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:New structures reveal flexible dynamics between the subdomains of peptidylglycine monooxygenase. Implications for an open to closed mechanism.
Protein Sci., 32, 2023
4NI9
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BU of 4ni9 by Molmil
Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025), FORM 2
Descriptor: Interleukin-6, SODIUM ION, SOMAmer SL1025
Authors:Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
Deposit date:2013-11-05
Release date:2014-01-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
4NI7
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BU of 4ni7 by Molmil
Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025)
Descriptor: Interleukin-6, SODIUM ION, SOMAmer SL1025
Authors:Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
Deposit date:2013-11-05
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
4NVN
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BU of 4nvn by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
8GT0
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BU of 8gt0 by Molmil
Structure of falcipain and human Stefin A complex
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ...
Authors:Chakraborty, S, Biswas, S.
Deposit date:2022-09-07
Release date:2023-09-13
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structure of falcipain and human Stefin A complex
To Be Published
1CFE
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BU of 1cfe by Molmil
P14A, NMR, 20 STRUCTURES
Descriptor: PATHOGENESIS-RELATED PROTEIN P14A
Authors:Fernandez, C, Szyperski, T, Bruyere, T, Ramage, P, Mosinger, E, Wuthrich, K.
Deposit date:1996-11-08
Release date:1997-11-12
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:NMR solution structure of the pathogenesis-related protein P14a.
J.Mol.Biol., 266, 1997
8GT7
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BU of 8gt7 by Molmil
Structure of falcipain and human Stefin A mutant complex
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Cystatin-A, ...
Authors:Chakraborty, S, Biswas, S.
Deposit date:2022-09-07
Release date:2023-09-13
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structure of falcipain and human Stefin A complex
To Be Published
3C6N
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BU of 3c6n by Molmil
Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling
Descriptor: (2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ...
Authors:Tan, X, Zheng, N, Hayashi, K.
Deposit date:2008-02-04
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1CYL
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BU of 1cyl by Molmil
ASPECTS OF RECEPTOR BINDING AND SIGNALLING OF INTERLEUKIN-4 INVESTIGATED BY SITE-DIRECTED MUTAGENESIS AND NMR SPECTROSCOPY
Descriptor: INTERLEUKIN-4
Authors:Mueller, T, Sebald, W, Oschkinat, H.
Deposit date:1994-02-21
Release date:1994-09-30
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Aspects of receptor binding and signalling of interleukin-4 investigated by site-directed mutagenesis and NMR spectroscopy.
J.Mol.Biol., 237, 1994
4OSG
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BU of 4osg by Molmil
Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)
Descriptor: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, CACODYLATE ION, CALCIUM ION, ...
Authors:Lamb, K.M, Anderson, A.C.
Deposit date:2014-02-12
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Klebsiella pneumoniae Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal Features for Potency and Selectivity.
Antimicrob.Agents Chemother., 58, 2014
3BXI
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BU of 3bxi by Molmil
Structure of the complex of bovine lactoperoxidase with its catalyzed product hypothiocyanate ion at 2.3A resolution
Descriptor: 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Shin, K, Takase, M, Kaur, P, Srinivasan, A, Singh, T.P.
Deposit date:2008-01-14
Release date:2008-03-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibition of lactoperoxidase by its own catalytic product: crystal structure of the hypothiocyanate-inhibited bovine lactoperoxidase at 2.3-A resolution.
Biophys.J., 96, 2009
3BXM
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BU of 3bxm by Molmil
Structure of an inactive mutant of human glutamate carboxypeptidase II [GCPII(E424A)] in complex with N-acetyl-Asp-Glu (NAAG)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lubkowski, J, Barinka, C.
Deposit date:2008-01-14
Release date:2009-01-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Reaction mechanism of glutamate carboxypeptidase II revealed by mutagenesis, X-ray crystallography, and computational methods.
Biochemistry, 48, 2009
4OYP
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BU of 4oyp by Molmil
Human solAC Complexed with 1-Benzofuran-2-carboxylic acid
Descriptor: 1-benzofuran-2-carboxylic acid, Adenylate cyclase type 10, CHLORIDE ION
Authors:Vinkovic, M.
Deposit date:2014-02-12
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OZ2
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BU of 4oz2 by Molmil
Human solAC Complexed with 4-(4-Fluorophenyl)-3-methyl-1H-pyrazole
Descriptor: 4-(4-fluorophenyl)-3-methyl-1H-pyrazole, Adenylate cyclase type 10, CHLORIDE ION, ...
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
1E3M
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BU of 1e3m by Molmil
The crystal structure of E. coli MutS binding to DNA with a G:T mismatch
Descriptor: 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*CP*AP*CP*CP*AP* GP*TP*GP*TP*CP*AP*GP*CP*GP*TP*CP*CP*TP*AP*T)-3', 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP*GP*AP*CP*AP*CP* TP*GP*GP*TP*GP*CP*TP*TP*GP*GP*CP*AP*GP*CP*T)-3', ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lamers, M.H, Perrakis, A, Enzlin, J.H, Winterwerp, H.H.K, De Wind, N, Sixma, T.K.
Deposit date:2000-06-19
Release date:2000-11-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of DNA Mismatch Repair Protein Muts Binding to a G X T Mismatch
Nature, 407, 2000
2OZM
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BU of 2ozm by Molmil
Crystal structure of RB69 gp43 in complex with DNA with 5-NITP opposite an abasic site analog
Descriptor: 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO -1H-INDOLE, DNA polymerase, MAGNESIUM ION, ...
Authors:Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S.
Deposit date:2007-02-26
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Caught Bending the A-Rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide
Biochemistry, 46, 2007

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