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1PPH
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BU of 1pph by Molmil
GEOMETRY OF BINDING OF THE NALPHA-TOSYLATED PIPERIDIDES OF M-AMIDINO-, P-AMIDINO-AND P-GUANIDINO PHENYLALANINE TO THROMBIN AND TRYPSIN: X-RAY CRYSTAL STRUCTURES OF THEIR TRYPSIN COMPLEXES AND MODELING OF THEIR THROMBIN COMPLEXES
Descriptor: 3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide, CALCIUM ION, SULFATE ION, ...
Authors:Bode, W, Turk, D.
Deposit date:1991-10-24
Release date:1994-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Geometry of binding of the N alpha-tosylated piperidides of m-amidino-, p-amidino- and p-guanidino phenylalanine to thrombin and trypsin. X-ray crystal structures of their trypsin complexes and modeling of their thrombin complexes.
FEBS Lett., 287, 1991
4Q73
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BU of 4q73 by Molmil
Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D778Y
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ...
Authors:Tanner, J.J, Luo, M, Pemberton, T.A.
Deposit date:2014-04-23
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A.
Biochemistry, 53, 2014
1U1H
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BU of 1u1h by Molmil
A. thaliana cobalamine independent methionine synthase
Descriptor: 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, METHIONINE, SULFATE ION, ...
Authors:Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R.
Deposit date:2004-07-15
Release date:2004-09-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
1U22
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BU of 1u22 by Molmil
A. thaliana cobalamine independent methionine synthase
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, ...
Authors:Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R.
Deposit date:2004-07-16
Release date:2004-09-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
1U1J
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A. thaliana cobalamine independent methionine synthase
Descriptor: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, METHIONINE, ...
Authors:Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R.
Deposit date:2004-07-15
Release date:2004-09-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
1U1U
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A. thaliana cobalamine independent methionine synthase
Descriptor: 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, SULFATE ION, ZINC ION
Authors:Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R.
Deposit date:2004-07-16
Release date:2004-09-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
6UL2
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BU of 6ul2 by Molmil
Crystal structure of tryptophan-6-halogenase BorH complexed with L-tryptophan
Descriptor: SULFATE ION, TRYPTOPHAN, Tryptophan 6-halogenase
Authors:Lingkon, K, Bellizzi, J.J.
Deposit date:2019-10-06
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Structure and Activity of the Thermophilic Tryptophan-6 Halogenase BorH.
Chembiochem, 21, 2020
1SQ9
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Structure of Ski8p, a WD repeat protein involved in mRNA degradation and meiotic recombination
Descriptor: Antiviral protein SKI8, SULFATE ION
Authors:Madrona, A.Y, Wilson, D.K.
Deposit date:2004-03-18
Release date:2004-05-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of Ski8p, a protein regulating mRNA degradation: Implications for WD protein structure.
Protein Sci., 13, 2004
1TBQ
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BU of 1tbq by Molmil
CRYSTAL STRUCTURE OF INSECT DERIVED DOUBLE DOMAIN KAZAL INHIBITOR RHODNIIN IN COMPLEX WITH THROMBIN
Descriptor: RHODNIIN, THROMBIN
Authors:Van De Locht, A, Lamba, D, Bode, W.
Deposit date:1995-03-02
Release date:1996-10-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin.
EMBO J., 14, 1995
1TBR
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BU of 1tbr by Molmil
CRYSTAL STRUCTURE OF INSECT DERIVED DOUBLE DOMAIN KAZAL INHIBITOR RHODNIIN IN COMPLEX WITH THROMBIN
Descriptor: RHODNIIN, THROMBIN
Authors:Van De Locht, A, Lamba, D, Bode, W.
Deposit date:1995-03-03
Release date:1996-10-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin.
EMBO J., 14, 1995
3NZ1
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BU of 3nz1 by Molmil
Crystal Structure of Kemp Elimination Catalyst 1A53-2 Complexed with Transition State Analog 5-Nitro Benzotriazole
Descriptor: 5-nitro-1H-benzotriazole, Indole-3-glycerol phosphate synthase, L(+)-TARTARIC ACID, ...
Authors:Lee, T.M, Privett, H.K, Kaiser, J.T, Mayo, S.L.
Deposit date:2010-07-15
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
1TMT
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BU of 1tmt by Molmil
CHANGES IN INTERACTIONS IN COMPLEXES OF HIRUDIN DERIVATIVES AND HUMAN ALPHA-THROMBIN DUE TO DIFFERENT CRYSTAL FORMS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:Priestle, J.P, Gruetter, M.G.
Deposit date:1994-05-26
Release date:1994-09-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms.
Protein Sci., 2, 1993
1TMU
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BU of 1tmu by Molmil
Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Hirudin variant-2, ...
Authors:Priestle, J.P, Gruetter, M.G.
Deposit date:1994-05-26
Release date:1994-09-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms.
Protein Sci., 2, 1993
1LE3
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BU of 1le3 by Molmil
NMR Structure of Tryptophan Zipper 4: A Stable Beta-Hairpin Peptide Based on the C-terminal Hairpin of the B1 Domain of Protein G
Descriptor: Tryptophan Zipper 4
Authors:Cochran, A.G, Skelton, N.J, Starovasnik, M.A.
Deposit date:2002-04-09
Release date:2002-04-24
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Tryptophan zippers: stable, monomeric beta -hairpins.
Proc.Natl.Acad.Sci.USA, 98, 2001
6OUY
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BU of 6ouy by Molmil
The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.60 Angstrom resolution
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L, Chang, C, Fan, L.
Deposit date:2019-05-06
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase alpha-subunit from solution-state NMR.
J.Biomol.Nmr, 74, 2020
6OSO
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BU of 6oso by Molmil
The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.75 Angstrom resolution
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L, Chang, C, Fan, L.
Deposit date:2019-05-01
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase alpha-subunit from solution-state NMR.
J.Biomol.Nmr, 74, 2020
6YNN
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BU of 6ynn by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_135
Descriptor: 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
1J8N
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BU of 1j8n by Molmil
Solution structure of beta3-analogue peptide corresponding to the gp41 600-612 loop of HIV.
Descriptor: HIV1 GP41 HSER analogue peptide Ace-Ile-Trp-Gly-Cys-beta3Ser-Gly-Lys-Leu-Ile-Cys-Thr-Thr-Ala
Authors:Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S.
Deposit date:2001-05-22
Release date:2003-07-01
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
1IM7
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BU of 1im7 by Molmil
Solution structure of synthetic cyclic peptide mimicking the loop of HIV-1 gp41 glycoprotein envelope
Descriptor: GP41-PARENT PEPTIDE ACE-ILE-TRP-GLY-CYS-SER-GLY-LYS-LEU-ILE-CYS-THR-THR-ALA
Authors:Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S.
Deposit date:2001-05-10
Release date:2002-10-23
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
6YNO
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BU of 6yno by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_139
Descriptor: 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
1H2O
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BU of 1h2o by Molmil
SOLUTION STRUCTURE OF THE MAJOR CHERRY ALLERGEN PRU AV 1 MUTANT E45W
Descriptor: MAJOR ALLERGEN PRU AV 1
Authors:Neudecker, P, Lehmann, K, Nerkamp, J, Schweimer, K, Sticht, H, Boehm, M, Scheurer, S, Vieths, S, Roesch, P.
Deposit date:2002-08-12
Release date:2003-08-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mutational Epitope Analysis of Pru Av 1 and Api G 1, the Major Allergens of Cherry (Prunus Avium) and Celery (Apium Graveolens): Correlating Ige Reactivity with Three-Dimensional Structure
Biochem.J., 376, 2003
6NW4
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BU of 6nw4 by Molmil
Evolution of a computationally designed Kemp eliminase
Descriptor: 6-NITROBENZOTRIAZOLE, Indole-3-glycerol phosphate synthase, SULFATE ION
Authors:Bunzel, A, Mittl, P, Hilvert, D.
Deposit date:2019-02-06
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Emergence of a Negative Activation Heat Capacity during Evolution of a Designed Enzyme.
J.Am.Chem.Soc., 141, 2019
1LE1
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BU of 1le1 by Molmil
NMR Structure of Tryptophan Zipper 2: A stable, Monomeric Beta-Hairpin with a Type I' Turn
Descriptor: Tryptophan Zipper 2
Authors:Cochran, A.G, Skelton, N.J, Starovasnik, M.A.
Deposit date:2002-04-09
Release date:2002-04-24
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Tryptophan zippers: stable, monomeric beta -hairpins.
Proc.Natl.Acad.Sci.USA, 98, 2001
1I76
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BU of 1i76 by Molmil
COMPLEX OF 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID (D-TIC DERIVATIVE) WITH T CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM)
Descriptor: 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, CALCIUM ION, NEUTROPHIL COLLAGENASE, ...
Authors:Gavuzzo, E, Pochetti, G, Mazza, F, Gallina, C, Gorini, B, D'Alessio, S, Pieper, M, Tschesche, H, Tucker, P.A.
Deposit date:2001-03-08
Release date:2001-03-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design.
J.Med.Chem., 43, 2000
1LE0
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NMR structure of Tryptophan Zipper 1: a stable, monomeric beta-hairpin with a type II' turn
Descriptor: Tryptophan Zipper 1
Authors:Cochran, A.G, Skelton, N.J, Starovasnik, M.A.
Deposit date:2002-04-09
Release date:2002-04-24
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Tryptophan zippers: stable, monomeric beta -hairpins.
Proc.Natl.Acad.Sci.USA, 98, 2001

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