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5HMV
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BU of 5hmv by Molmil
Re refinement of 4mwk.
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Helliwell, J.R.
Deposit date:2016-01-17
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)].
Struct Dyn, 3, 2016
5HMJ
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BU of 5hmj by Molmil
Re-refinement of 4xan: hen lysozyme with carboplatin in sodium bromide solution
Descriptor: ACETATE ION, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Helliwell, J.R.
Deposit date:2016-01-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.299901 Å)
Cite:Re-refinement of 4xan: hen egg-white lysozyme with carboplatin in sodium bromide solution.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5HQ1
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BU of 5hq1 by Molmil
Comment on S. W. M. Tanley and J. R. Helliwell Structural dynamics of cisplatin binding to histidine in a protein Struct. Dyn. 1, 034701 (2014) regarding the refinement of 4mwk, 4mwm, 4mwn and 4oxe and the method we have adopted.
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Helliwell, J.R.
Deposit date:2016-01-21
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1 Å)
Cite:Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)].
Struct Dyn, 3, 2016
4Y7B
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BU of 4y7b by Molmil
Factor Xa complex with GTC000441
Descriptor: 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X
Authors:Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Factor Xa complex with GTC000441
to be published
5IAZ
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BU of 5iaz by Molmil
The C-terminal domain of rice beta-galactosidase 1
Descriptor: beta-galactosidase 1
Authors:Rimlumduan, T, Hua, Y.-l, Tanaka, T, Ketudat-Cairns, J.R.
Deposit date:2016-02-22
Release date:2016-08-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of a plant beta-galactosidase C-terminal domain
Biochim.Biophys.Acta, 1864, 2016
4Y71
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BU of 4y71 by Molmil
Factor Xa complex with GTC000398
Descriptor: 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide, CALCIUM ION, Coagulation factor X
Authors:Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Factor Xa complex with GTC000398
To be Published
4Y7A
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BU of 4y7a by Molmil
Factor Xa complex with GTC000422
Descriptor: CALCIUM ION, Coagulation factor X, MAGNESIUM ION, ...
Authors:Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Factor Xa complex with GTC000422
to be published
1OHJ
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BU of 1ohj by Molmil
HUMAN DIHYDROFOLATE REDUCTASE, MONOCLINIC (P21) CRYSTAL FORM
Descriptor: DIHYDROFOLATE REDUCTASE, N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.
Deposit date:1997-09-17
Release date:1998-04-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparison of two independent crystal structures of human dihydrofolate reductase ternary complexes reduced with nicotinamide adenine dinucleotide phosphate and the very tight-binding inhibitor PT523.
Biochemistry, 36, 1997
1OHK
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BU of 1ohk by Molmil
HUMAN DIHYDROFOLATE REDUCTASE, ORTHORHOMBIC (P21 21 21) CRYSTAL FORM
Descriptor: DIHYDROFOLATE REDUCTASE, N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.
Deposit date:1997-09-17
Release date:1998-05-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparison of two independent crystal structures of human dihydrofolate reductase ternary complexes reduced with nicotinamide adenine dinucleotide phosphate and the very tight-binding inhibitor PT523.
Biochemistry, 36, 1997
2BT4
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BU of 2bt4 by Molmil
Type II Dehydroquinase inhibitor complex
Descriptor: (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ...
Authors:Toscano, M.D, Stewart, K.A, Coggins, J.R, Lapthorn, A.J, Abell, C.
Deposit date:2005-05-26
Release date:2006-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational Design of New Bifunctional Inhibitors of Type II Dehydroquinase.
Org.Biomol.Chem., 3, 2005
1EHI
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BU of 1ehi by Molmil
D-ALANINE:D-LACTATE LIGASE (LMDDL2) OF VANCOMYCIN-RESISTANT LEUCONOSTOC MESENTEROIDES
Descriptor: 1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID, ADENOSINE-5'-DIPHOSPHATE, D-ALANINE:D-LACTATE LIGASE, ...
Authors:Kuzin, A.P, Sun, T, Jorczak-Baillass, J, Healy, V.L, Walsh, C.T, Knox, J.R.
Deposit date:2000-02-21
Release date:2000-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Enzymes of vancomycin resistance: the structure of D-alanine-D-lactate ligase of naturally resistant Leuconostoc mesenteroides.
Structure Fold.Des., 8, 2000
1EYU
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BU of 1eyu by Molmil
HIGH RESOLUTION STRUCTURE OF THE PVUII ENDONCULEASE/COGNATE DNA COMPLEX AT PH 4.6
Descriptor: DNA (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C)-3'), TYPE II RESTRICTION ENZYME PVUII
Authors:Horton, J.R, Cheng, X.
Deposit date:2000-05-09
Release date:2000-07-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:PvuII endonuclease contains two calcium ions in active sites.
J.Mol.Biol., 300, 2000
5L3H
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BU of 5l3h by Molmil
Re-refinement of 4dd4; cisplatin coordination chemistry determination at hen egg white lysozyme His15 with standard uncertainties
Descriptor: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Helliwell, J.R, Tanley, S.W.M.
Deposit date:2016-05-06
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cisplatin coordination chemistry determination at hen egg white lysozyme His15 with ligand distances and angles, and their standard uncertainties, and also reporting a split occupancy effect
ArXiv, 2016
5L3I
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BU of 5l3i by Molmil
Re-refinement of 4dd6; cisplatin coordination chemistry determination at hen egg white lysozyme His15
Descriptor: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Helliwell, J.R.
Deposit date:2016-05-06
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cisplatin coordination chemistry determination at hen egg white lysozyme His15 with ligand distances and angles, and their standard uncertainties, and also reporting a split occupancy effect
ArXiv, 2016
1BLS
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BU of 1bls by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF A PHOSPHONATE DERIVATIVE OF THE ENTEROBACTER CLOACAE P99 CEPHALOSPORINASE: MECHANISTIC INTERPRETATION OF A BETA-LACTAMASE TRANSITION STATE ANALOG
Descriptor: (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID, BETA-LACTAMASE
Authors:Knox, J.R, Moews, P.C, Lobkovsky, E.
Deposit date:1993-12-17
Release date:1995-05-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic structure of a phosphonate derivative of the Enterobacter cloacae P99 cephalosporinase: mechanistic interpretation of a beta-lactamase transition-state analog.
Biochemistry, 33, 1994
3G7F
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BU of 3g7f by Molmil
Crystal structure of Blastochloris viridis heterodimer mutant reaction center
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Ponomarenko, N.S, Li, L, Tereshko, V, Ismagilov, R.F, Norris Jr, J.R.
Deposit date:2009-02-09
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and spectropotentiometric analysis of Blastochloris viridis heterodimer mutant reaction center
Biochim.Biophys.Acta, 1788, 2009
2AOW
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BU of 2aow by Molmil
Histamine Methyltransferase (Natural Variant I105) Complexed with the Acetylcholinesterase Inhibitor and Altzheimer's Disease Drug Tacrine
Descriptor: Histamine N-methyltransferase, TACRINE
Authors:Horton, J.R, Sawada, K, Nishibori, M, Cheng, X.
Deposit date:2005-08-14
Release date:2005-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structural basis for inhibition of histamine N-methyltransferase by diverse drugs
J.Mol.Biol., 353, 2005
5M0Z
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BU of 5m0z by Molmil
Cyclohexanone Monooxygenase from T. municipale: reduced enzyme bound to NADP+
Descriptor: Cyclohexanone Monooxygenase from Thermocrispum municipale., FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Gomez-Castellanos, J.R, Mattevi, A.
Deposit date:2016-10-06
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Characterization and Crystal Structure of a Robust Cyclohexanone Monooxygenase.
Angew. Chem. Int. Ed. Engl., 55, 2016
2AOU
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BU of 2aou by Molmil
Histamine Methyltransferase Complexed with the Antimalarial Drug Amodiaquine
Descriptor: 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL, Histamine N-methyltransferase
Authors:Horton, J.R, Sawada, K, Nishibori, M, Cheng, X.
Deposit date:2005-08-14
Release date:2005-09-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for inhibition of histamine N-methyltransferase by diverse drugs
J.Mol.Biol., 353, 2005
2AOX
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BU of 2aox by Molmil
Histamine Methyltransferase (Primary Variant T105) Complexed with the Acetylcholinesterase Inhibitor and Altzheimer's Disease Drug Tacrine
Descriptor: Histamine N-methyltransferase, TACRINE
Authors:Horton, J.R, Sawada, K, Nishibori, M, Cheng, X.
Deposit date:2005-08-14
Release date:2005-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis for inhibition of histamine N-methyltransferase by diverse drugs
J.Mol.Biol., 353, 2005
5M10
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BU of 5m10 by Molmil
Crystal structure of cyclohexanone monooxygenase from Thermocrispum municipale in the oxidised state with a bound nicotinamide.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Gomez-Castellanos, J.R, Mattevi, A.
Deposit date:2016-10-06
Release date:2016-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Characterization and Crystal Structure of a Robust Cyclohexanone Monooxygenase.
Angew. Chem. Int. Ed. Engl., 55, 2016
2AOV
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BU of 2aov by Molmil
Histamine Methyltransferase Complexed with the Antifolate Drug Metoprine
Descriptor: 4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATE, 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE, Histamine N-methyltransferase
Authors:Horton, J.R, Sawada, K, Nishibori, M, Cheng, X.
Deposit date:2005-08-14
Release date:2005-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural basis for inhibition of histamine N-methyltransferase by diverse drugs
J.Mol.Biol., 353, 2005
2AOT
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BU of 2aot by Molmil
Histamine Methyltransferase Complexed with the Antihistamine Drug Diphenhydramine
Descriptor: Histamine N-methyltransferase, N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Horton, J.R, Sawada, K, Nishibori, M, Cheng, X.
Deposit date:2005-08-14
Release date:2005-09-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for inhibition of histamine N-methyltransferase by diverse drugs
J.Mol.Biol., 353, 2005
2CIJ
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BU of 2cij by Molmil
membrane-bound glutamate carboxypeptidase II (GCPII) with bound methionine
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:Barinka, C, Plechanovova, A, Rulisek, L, Mlcochova, P, Majer, P, Slusher, B.S, Hilgenfeld, R, Mesters, J.R, Konvalinka, J.
Deposit date:2006-03-21
Release date:2007-03-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Glutamate Carboxypeptidase II
Handbook of Metalloproteins, 4, 2011
2FKC
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BU of 2fkc by Molmil
Crystal Form I of Pre-Reactive Complex of Restriction Endonuclease HinP1I with Cognate DNA and Calcium Ion
Descriptor: 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3', CALCIUM ION, R.HinP1I restriction endonuclease
Authors:Horton, J.R.
Deposit date:2006-01-04
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion.
Nucleic Acids Res., 34, 2006

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數據於2024-09-18公開中

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