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1QK3
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TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE GMP COMPLEX
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE
Authors:Heroux, A, White, E.L, Ross, L.J, Borhani, D.W.
Deposit date:1999-07-09
Release date:1999-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structures of the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Gmp and -Imp Complexes: Comparison of Purine Binding Interactions with the Xmp Complex
Biochemistry, 38, 1999
1QM6
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Closed form of Clostridium perfringens alpha-toxin strain NCTC8237
Descriptor: PHOSPHOLIPASE C, ZINC ION
Authors:Naylor, C.E, Miller, J, Titball, R.W, Basak, A.K.
Deposit date:1999-09-21
Release date:1999-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterisation of the Calcium-Binding C-Terminal Domain of Clostridium Perfringens Alpha-Toxin
J.Mol.Biol., 294, 1999
1QJP
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BU of 1qjp by Molmil
HIGH RESOLUTION STRUCTURE OF THE OUTER MEMBRANE PROTEIN A (OMPA) TRANSMEMBRANE DOMAIN
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, OUTER MEMBRANE PROTEIN A
Authors:Pautsch, A, Schulz, G.E.
Deposit date:1999-06-29
Release date:2000-06-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High Resolution Structure of the Ompa Membrane Domain
J.Mol.Biol., 298, 2000
7EK9
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BU of 7ek9 by Molmil
Crystal structure of apo streptavidin at cryogenic temperature
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Streptavidin
Authors:DeMirci, H, Ayan, E, Destan, E, Ertem, F.B.
Deposit date:2021-04-04
Release date:2021-09-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of apo streptavidin at cryogenic temperature
To Be Published
1TAC
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BU of 1tac by Molmil
HIV-1 TAT CYS-, NMR, 10 STRUCTURES
Descriptor: TAT PROTEIN
Authors:Roesch, P, Boehm, M, Sticht, H.
Deposit date:1998-03-13
Release date:1999-03-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of HIV-1 Tat Protein
To be Published
1SSD
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BU of 1ssd by Molmil
Understanding protein lids: Structural analysis of active hinge mutants in triosephosphate isomerase
Descriptor: SULFATE ION, Triosephosphate isomerase
Authors:Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K.
Deposit date:2004-03-24
Release date:2004-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
Protein Eng.Des.Sel., 17, 2004
7EFX
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BU of 7efx by Molmil
Crystal Structure of human PIN1 complexed with covalent inhibitor
Descriptor: 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Liu, L, Li, J, Zhu, R, Pei, Y.
Deposit date:2021-03-23
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
1ST7
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BU of 1st7 by Molmil
Solution structure of Acyl Coenzyme A Binding Protein from yeast
Descriptor: Acyl-CoA-binding protein
Authors:Teilum, K, Thormann, T, Caterer, N.R, Poulsen, H.I, Jensen, P.H, Knudsen, J, Kragelund, B.B, Poulsen, F.M.
Deposit date:2004-03-25
Release date:2005-03-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Different secondary structure elements as scaffolds for protein folding transition states of two homologous four-helix bundles
Proteins, 59, 2005
7E3D
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BU of 7e3d by Molmil
Crystal structure of human acetylcholinesterase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Acetylcholinesterase
Authors:Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J.
Deposit date:2021-02-08
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Int.J.Biol.Macromol., 210, 2022
7E3H
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BU of 7e3h by Molmil
Crystal structure of human acetylcholinesterase in complex with donepezil
Descriptor: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
Authors:Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J.
Deposit date:2021-02-08
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Int.J.Biol.Macromol., 210, 2022
7EKV
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BU of 7ekv by Molmil
Crystal Structure of human Pin1 complexed with a covalent inhibitor
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Liu, L, Li, J.
Deposit date:2021-04-06
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
7EFJ
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Crystal Structure Analysis of human PIN1
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Liu, L, Li, J.
Deposit date:2021-03-21
Release date:2022-02-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
1TER
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BU of 1ter by Molmil
SOLUTION STRUCTURE OF TERTIAPIN DETERMINED USING NUCLEAR MAGNETIC RESONANCE AND DISTANCE GEOMETRY
Descriptor: TERTIAPIN
Authors:Xu, X, Nelson, J.W.
Deposit date:1994-04-08
Release date:1995-02-07
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of tertiapin determined using nuclear magnetic resonance and distance geometry.
Proteins, 17, 1993
1SW0
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BU of 1sw0 by Molmil
Triosephosphate isomerase from Gallus gallus, loop 6 hinge mutant K174L, T175W
Descriptor: 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase
Authors:Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K.
Deposit date:2004-03-30
Release date:2004-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
Protein Eng.Des.Sel., 17, 2004
1THK
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BU of 1thk by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase II, ZINC ION
Authors:Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
Deposit date:2004-06-01
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
1TKT
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BU of 1tkt by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318
Descriptor: 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K.
Deposit date:2004-06-09
Release date:2004-12-07
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
1TSX
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BU of 1tsx by Molmil
THYMIDYLATE SYNTHASE R179E MUTANT
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1995-12-05
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
1U3F
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BU of 1u3f by Molmil
Structural and Functional Characterization of a 5,10-Methenyltetrahydrofolate Synthetase from Mycoplasma pneumoniae (GI: 13508087)
Descriptor: 5,10-Methenyltetrahydrofolate Synthetase, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, S, Yakunin, A.F, Proudfoot, M, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
Deposit date:2004-07-21
Release date:2004-12-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of methenyltetrahydrofolate synthetase from Mycoplasma pneumoniae (GI: 13508087) at 2.2 A resolution
Proteins, 56, 2004
7DVM
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BU of 7dvm by Molmil
DgkA structure in E.coli lipid bilayer
Descriptor: Diacylglycerol kinase
Authors:Li, J, Yang, J.
Deposit date:2021-01-13
Release date:2022-04-13
Last modified:2023-09-27
Method:SOLID-STATE NMR
Cite:Structure of membrane diacylglycerol kinase in lipid bilayers.
Commun Biol, 4, 2021
1U8F
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BU of 1u8f by Molmil
Crystal Structure Of Human Placental Glyceraldehyde-3-Phosphate Dehydrogenase At 1.75 Resolution
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, liver, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jenkins, J.L, Tanner, J.J.
Deposit date:2004-08-05
Release date:2005-08-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:High-resolution structure of human D-glyceraldehyde-3-phosphate dehydrogenase.
Acta Crystallogr.,Sect.D, 62, 2006
1U7P
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BU of 1u7p by Molmil
X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Descriptor: MAGNESIUM ION, TUNGSTATE(VI)ION, magnesium-dependent phosphatase-1
Authors:Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-08-04
Release date:2004-10-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Biochemistry, 43, 2004
1U75
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Electron Transfer Complex between Horse Heart Cytochrome c and Zinc-Porphyrin Substituted Cytochrome c Peroxidase
Descriptor: Cytochrome c, HEME C, PHOSPHATE ION, ...
Authors:Crane, B.R, Kang, S.A.
Deposit date:2004-08-02
Release date:2004-09-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Electron transfer between cytochrome c and cytochome c peroxidase in single crystals.
J.Am.Chem.Soc., 126, 2004
7DYK
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BU of 7dyk by Molmil
Crystal Structure of Cyanobacterial Circadian Clock Protein KaiC
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION
Authors:Furuike, Y, Akiyama, S.
Deposit date:2021-01-22
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Elucidation of master allostery essential for circadian clock oscillation in cyanobacteria.
Sci Adv, 8, 2022
7DYI
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Crystal Structure of Cyanobacterial Circadian Clock Protein KaiC
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION
Authors:Furuike, Y, Akiyama, S.
Deposit date:2021-01-21
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Elucidation of master allostery essential for circadian clock oscillation in cyanobacteria.
Sci Adv, 8, 2022
7DYJ
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Crystal Structure of Cyanobacterial Circadian Clock Protein KaiC
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION
Authors:Furuike, Y, Akiyama, S.
Deposit date:2021-01-22
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Elucidation of master allostery essential for circadian clock oscillation in cyanobacteria.
Sci Adv, 8, 2022

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