3SV2
 
 | | Human Thrombin In Complex With UBTHR105 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-07-12 | | Release date: | 2012-06-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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1DOJ
 | | Crystal structure of human alpha-thrombin*RWJ-51438 complex at 1.7 A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUGEN, ... | | Authors: | Recacha, R, Costanzo, M.J, Maryanoff, B.E, Carson, M, DeLucas, L, Chattopadhyay, D. | | Deposit date: | 1999-12-21 | | Release date: | 2000-11-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of human alpha-thrombin complexed with RWJ-51438 at 1.7 A: unusual perturbation of the 60A-60I insertion loop.
Acta Crystallogr.,Sect.D, 56, 2000
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3SIT
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3S7K
 | | Structure of thrombin mutant Y225P in the E form | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, POTASSIUM ION, Prothrombin | | Authors: | Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E. | | Deposit date: | 2011-05-26 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease.
Biochemistry, 50, 2011
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3SHC
 | | Human Thrombin In Complex With UBTHR101 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide, Hirudin variant-2, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-06-16 | | Release date: | 2012-06-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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1E3Z
 | | Acarbose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.93A | | Descriptor: | 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | | Authors: | Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. | | Deposit date: | 2000-06-27 | | Release date: | 2001-06-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes
Biochemistry, 39, 2000
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3SIS
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1E40
 | | Tris/maltotriose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 2.2A | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-AMYLASE, CALCIUM ION, ... | | Authors: | Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. | | Deposit date: | 2000-06-27 | | Release date: | 2001-06-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes
Biochemistry, 39, 2000
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3TAY
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3SP3
 | | Lysozyme in 20% sucrose | | Descriptor: | CHLORIDE ION, Lysozyme, SODIUM ION, ... | | Authors: | Sharma, P, Solanki, A.K, Ashish | | Deposit date: | 2011-07-01 | | Release date: | 2011-07-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Lysozyme in 20% sucrose
to be published
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3QG6
 | | Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody | | Descriptor: | AP4-24H11 Heavy Chain, AP4-24H11 Light Chain, Agr autoinducing peptide, ... | | Authors: | Kirchdoerfer, R.N, Janda, J.D, Kaufmann, G.F, Wilson, I.A. | | Deposit date: | 2011-01-24 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody.
J.Biol.Chem., 286, 2011
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3RUH
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3S41
 | | Glucokinase in complex with activator and glucose | | Descriptor: | Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2011-05-18 | | Release date: | 2011-09-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
MEDCHEMCOMM, 2, 2011
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3SI3
 | | Human Thrombin In Complex With UBTHR103 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-2-ylmethyl)-L-prolinamide, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-06-17 | | Release date: | 2012-06-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3U8O
 | | Human thrombin complexed with D-Phe-Pro-D-Arg-D-Thr | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. | | Deposit date: | 2011-10-17 | | Release date: | 2012-05-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
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3U69
 | | Unliganded wild-type human thrombin | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Figueiredo, A.C, Clement, C.C, Philipp, M, Barbosa Pereira, P.J. | | Deposit date: | 2011-10-12 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
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3SI4
 | | Human Thrombin In Complex With UBTHR104 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-06-17 | | Release date: | 2012-06-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3T5F
 | | Human Thrombin In Complex With MI340 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-07-27 | | Release date: | 2012-08-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
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3QLP
 | | X-ray structure of the complex between human alpha thrombin and a modified thrombin binding aptamer (mTBA) | | 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, POTASSIUM ION, ... | | Authors: | Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | | Deposit date: | 2011-02-03 | | Release date: | 2011-10-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Thrombin-aptamer recognition: a revealed ambiguity.
Nucleic Acids Res., 39, 2011
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3QEM
 | | Crystal structure of amino terminal domains of the NMDA receptor subunit GluN1 and GluN2B in complex with Ro 25-6981 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, Glutamate [NMDA] receptor subunit epsilon-2, ... | | Authors: | Karakas, E, Simorowski, N, Furukawa, H. | | Deposit date: | 2011-01-20 | | Release date: | 2011-06-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Subunit arrangement and phenylethanolamine binding in GluN1/GluN2B NMDA receptors.
Nature, 475, 2011
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3QTV
 | | Thrombin Inhibition by Pyridin Derivatives | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-02-23 | | Release date: | 2012-02-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3QWC
 | | Thrombin Inhibition by Pyridin Derivatives | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-02-28 | | Release date: | 2012-03-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3RMO
 | | Human Thrombin in complex with MI004 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-04-21 | | Release date: | 2012-04-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
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3U8R
 | | Human thrombin complexed with D-Phe-Pro-D-Arg-Ile | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. | | Deposit date: | 2011-10-17 | | Release date: | 2012-05-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
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3TT1
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