1K1O
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![BU of 1k1o by Molmil](/molmil-images/mine/1k1o) | BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, TRYPSIN, {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID | Authors: | Stubbs, M.T. | Deposit date: | 2001-09-25 | Release date: | 2001-11-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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1K1N
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![BU of 1k1n by Molmil](/molmil-images/mine/1k1n) | BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, TRYPSIN, [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE | Authors: | Stubbs, M.T. | Deposit date: | 2001-09-25 | Release date: | 2001-11-28 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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1K22
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![BU of 1k22 by Molmil](/molmil-images/mine/1k22) | HUMAN THROMBIN-INHIBITOR COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ... | Authors: | Stubbs, M.T, Musil, D. | Deposit date: | 2001-09-26 | Release date: | 2002-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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1HCL
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![BU of 1hcl by Molmil](/molmil-images/mine/1hcl) | HUMAN CYCLIN-DEPENDENT KINASE 2 | Descriptor: | HUMAN CYCLIN-DEPENDENT KINASE 2 | Authors: | Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H. | Deposit date: | 1996-06-03 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design. J.Med.Chem., 39, 1996
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1K1I
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![BU of 1k1i by Molmil](/molmil-images/mine/1k1i) | BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID, TRYPSIN | Authors: | Stubbs, M.T. | Deposit date: | 2001-09-25 | Release date: | 2001-11-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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1K1L
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![BU of 1k1l by Molmil](/molmil-images/mine/1k1l) | BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-3-AMIDINO-L-PHENYLALANINE PIPERAZIDE, SULFATE ION, ... | Authors: | Stubbs, M.T. | Deposit date: | 2001-09-25 | Release date: | 2001-11-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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1HW3
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![BU of 1hw3 by Molmil](/molmil-images/mine/1hw3) | STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE | Authors: | Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L. | Deposit date: | 2001-01-09 | Release date: | 2001-01-24 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors. J.Biol.Chem., 276, 2001
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1KZO
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![BU of 1kzo by Molmil](/molmil-images/mine/1kzo) | PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH FARNESYLATED K-RAS4B PEPTIDE PRODUCT AND FARNESYL DIPHOSPHATE SUBSTRATE BOUND SIMULTANEOUSLY | Descriptor: | ACETIC ACID, FARNESYL, FARNESYL DIPHOSPHATE, ... | Authors: | Long, S.B, Casey, P.J, Beese, L.S. | Deposit date: | 2002-02-07 | Release date: | 2002-10-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Reaction Path of Protein Farnesyltransferase at Atomic Resolution Nature, 419, 2002
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1HWI
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![BU of 1hwi by Molmil](/molmil-images/mine/1hwi) | COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH FLUVASTATIN | Descriptor: | (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid, ADENOSINE-5'-DIPHOSPHATE, HMG-COA REDUCTASE | Authors: | Istvan, E.S, Deisenhofer, J. | Deposit date: | 2001-01-09 | Release date: | 2001-05-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural mechanism for statin inhibition of HMG-CoA reductase. Science, 292, 2001
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1HW9
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![BU of 1hw9 by Molmil](/molmil-images/mine/1hw9) | |
1HTF
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![BU of 1htf by Molmil](/molmil-images/mine/1htf) | |
1HPI
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![BU of 1hpi by Molmil](/molmil-images/mine/1hpi) | MOLECULAR STRUCTURE OF THE OXIDIZED HIGH-POTENTIAL IRON-SULFUR PROTEIN ISOLATED FROM ECTOTHIORHODOSPIRA VACUOLATA | Descriptor: | HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER | Authors: | Benning, M.M, Meyer, T.E, Rayment, I, Holden, H.M. | Deposit date: | 1993-12-09 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular structure of the oxidized high-potential iron-sulfur protein isolated from Ectothiorhodospira vacuolata. Biochemistry, 33, 1994
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1HQ5
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![BU of 1hq5 by Molmil](/molmil-images/mine/1hq5) | CRYSTAL STRUCTURE OF THE BINUCLEAR MANGANESE METALLOENZYME ARGINASE COMPLEXED WITH S-(2-BORONOETHYL)-L-CYSTEINE, AN L-ARGININE ANALOGUE | Descriptor: | ARGINASE 1, MANGANESE (II) ION, S-2-(BORONOETHYL)-L-CYSTEINE | Authors: | Kim, N.N, Cox, J.D, Baggio, R.F, Emig, F.A, Mistry, S.K, Harper, S.L, Speicher, D.W, Morris Jr, S.M, Ash, D.E, Traish, A, Christianson, D.W. | Deposit date: | 2000-12-14 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Probing erectile function: S-(2-boronoethyl)-L-cysteine binds to arginase as a transition state analogue and enhances smooth muscle relaxation in human penile corpus cavernosum. Biochemistry, 40, 2001
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1HXV
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![BU of 1hxv by Molmil](/molmil-images/mine/1hxv) | PPIASE DOMAIN OF THE MYCOPLASMA GENITALIUM TRIGGER FACTOR | Descriptor: | TRIGGER FACTOR | Authors: | Vogtherr, M, Parac, T.N, Maurer, M, Pahl, A, Fiebig, K. | Deposit date: | 2001-01-17 | Release date: | 2002-05-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR solution structure and dynamics of the peptidyl-prolyl cis-trans isomerase domain of the trigger factor from Mycoplasma genitalium compared to FK506-binding protein. J.Mol.Biol., 318, 2002
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1HWK
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![BU of 1hwk by Molmil](/molmil-images/mine/1hwk) | |
1KI3
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![BU of 1ki3 by Molmil](/molmil-images/mine/1ki3) | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH PENCICLOVIR | Descriptor: | 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE, SULFATE ION, THYMIDINE KINASE | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Jarvest, R.L, Summers, W.C, Sanderson, M.R. | Deposit date: | 1998-05-15 | Release date: | 1999-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1KI2
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![BU of 1ki2 by Molmil](/molmil-images/mine/1ki2) | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH GANCICLOVIR | Descriptor: | 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE, SULFATE ION, THYMIDINE KINASE | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R. | Deposit date: | 1998-05-15 | Release date: | 1998-12-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1HW4
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![BU of 1hw4 by Molmil](/molmil-images/mine/1hw4) | STRUCTURE OF THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE | Authors: | Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L. | Deposit date: | 2001-01-09 | Release date: | 2001-01-24 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors. J.Biol.Chem., 276, 2001
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1HWJ
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![BU of 1hwj by Molmil](/molmil-images/mine/1hwj) | |
1HTG
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![BU of 1htg by Molmil](/molmil-images/mine/1htg) | |
1HIV
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![BU of 1hiv by Molmil](/molmil-images/mine/1hiv) | CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A DIHYDROETHYLENE-CONTAINING INHIBITOR: COMPARISONS WITH MOLECULAR MODELING | Descriptor: | 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium, HIV-1 PROTEASE | Authors: | Thanki, N, Wlodawer, A. | Deposit date: | 1992-02-12 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a complex of HIV-1 protease with a dihydroxyethylene-containing inhibitor: comparisons with molecular modeling. Protein Sci., 1, 1992
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1IIJ
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![BU of 1iij by Molmil](/molmil-images/mine/1iij) | |
1JDK
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![BU of 1jdk by Molmil](/molmil-images/mine/1jdk) | solution structure of lactam analogue (EDap) of HIV gp41 600-612 loop. | Descriptor: | ACETYL GROUP | 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: | 2001-06-14 | Release date: | 2003-07-01 | 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
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1JK0
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![BU of 1jk0 by Molmil](/molmil-images/mine/1jk0) | Ribonucleotide reductase Y2Y4 heterodimer | Descriptor: | ZINC ION, ribonucleoside-diphosphate reductase small chain 1, ribonucleoside-diphosphate reductase small chain 2 | Authors: | Voegtli, W.C, Perlstein, D.L, Ge, J, Stubbe, J, Rosenzweig, A.C. | Deposit date: | 2001-07-10 | Release date: | 2001-09-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the yeast ribonucleotide reductase Y2Y4 heterodimer. Proc.Natl.Acad.Sci.USA, 98, 2001
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5VP5
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![BU of 5vp5 by Molmil](/molmil-images/mine/5vp5) | |