1AY6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ay6 by Molmil](/molmil-images/mine/1ay6) | THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF | Descriptor: | HIRUGEN, THROMBIN HEAVY CHAIN, THROMBIN LIGHT CHAIN, ... | Authors: | Ganesh, V, Maryanoff, B.E, Tulinsky, A. | Deposit date: | 1997-11-14 | Release date: | 1998-03-18 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif Bioorg.Med.Chem.Lett., 6, 1996
|
|
1BWB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bwb by Molmil](/molmil-images/mine/1bwb) | HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH SD146 OF DUPONT PHARMACEUTICALS | Descriptor: | PROTEIN (HIV-1 PROTEASE), [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE] | Authors: | Ala, P, Chang, C.H. | Deposit date: | 1998-09-22 | Release date: | 1998-09-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities. Biochemistry, 37, 1998
|
|
1BM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bm1 by Molmil](/molmil-images/mine/1bm1) | CRYSTAL STRUCTURE OF BACTERIORHODOPSIN IN THE LIGHT-ADAPTED STATE | Descriptor: | BACTERIORHODOPSIN, PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-TETRAMETHYL-HEXADECYLOXY)-PROPYL ESTER 2-HYDROXO-3-PHOSPHONOOXY-PROPYL ESTER, RETINAL | Authors: | Sato, H, Takeda, K, Tani, K, Hino, T, Okada, T, Nakasako, M, Kamiya, N, Kouyama, T. | Deposit date: | 1998-07-28 | Release date: | 1999-04-27 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Specific lipid-protein interactions in a novel honeycomb lattice structure of bacteriorhodopsin. Acta Crystallogr.,Sect.D, 55, 1999
|
|
1BV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bv7 by Molmil](/molmil-images/mine/1bv7) | COUNTERACTING HIV-1 PROTEASE DRUG RESISTANCE: STRUCTURAL ANALYSIS OF MUTANT PROTEASES COMPLEXED WITH XV638 AND SD146, CYCLIC UREA AMIDES WITH BROAD SPECIFICITIES | Descriptor: | PROTEIN (HIV-1 PROTEASE), [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] | Authors: | Ala, P, Chang, C.H. | Deposit date: | 1998-09-22 | Release date: | 1998-09-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities. Biochemistry, 37, 1998
|
|
2J7Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j7q by Molmil](/molmil-images/mine/2j7q) | Crystal structure of the ubiquitin-specific protease encoded by murine cytomegalovirus tegument protein M48 in complex with a ubquitin-based suicide substrate | Descriptor: | GLYCEROL, MAGNESIUM ION, MCMV TEGUMENT PROTEIN M48 ENCODED UBIQUITIN- SPECIFIC PROTEASE, ... | Authors: | Schlieker, C, Weihofen, W.A, Frijns, E, Kattenhorn, L.M, Gaudet, R, Ploegh, H.L. | Deposit date: | 2006-10-16 | Release date: | 2007-03-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of a Herpesvirus-Encoded Cysteine Protease Reveals a Unique Class of Deubiquitinating Enzymes Mol.Cell, 25, 2007
|
|
1BV9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bv9 by Molmil](/molmil-images/mine/1bv9) | HIV-1 PROTEASE (I84V) COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS | Descriptor: | PROTEIN (HIV-1 PROTEASE), [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] | Authors: | Ala, P, Chang, C.H. | Deposit date: | 1998-09-22 | Release date: | 1998-09-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities. Biochemistry, 37, 1998
|
|
1BWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bwa by Molmil](/molmil-images/mine/1bwa) | HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS | Descriptor: | PROTEIN (HIV-1 PROTEASE), [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] | Authors: | Ala, P, Chang, C.H. | Deposit date: | 1998-09-22 | Release date: | 1998-10-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities. Biochemistry, 37, 1998
|
|
1W9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w9x by Molmil](/molmil-images/mine/1w9x) | Bacillus halmapalus alpha amylase | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ALPHA AMYLASE, CALCIUM ION, ... | Authors: | Davies, G.J, Brzozowski, A.M, Dauter, Z, Rasmussen, M.D, Borchert, T.V, Wilson, K.S. | Deposit date: | 2004-10-20 | Release date: | 2005-02-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a Bacillus Halmapalus Family 13 Alpha-Amylase, Bha, in Complex with an Acarbose-Derived Nonasaccharide at 2.1 A Resolution Acta Crystallogr.,Sect.D, 61, 2005
|
|
1WBK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wbk by Molmil](/molmil-images/mine/1wbk) | |
1WBC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wbc by Molmil](/molmil-images/mine/1wbc) | CRYSTALLIZATION AND PRELIMINARY X-RAY STUDIES OF PSOPHOCARPIN B1, A CHYMOTRYPSIN INHIBITOR FROM WINGED BEAN SEEDS | Descriptor: | CHYMOTRYPSIN INHIBITOR (WCI) | Authors: | Dattagupta, J.K, Podder, A, Chakrabarti, C, Sen, U, Dutta, S.K, Singh, M. | Deposit date: | 1995-11-30 | Release date: | 1996-04-03 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of a Kunitz-type chymotrypsin from winged bean seeds at 2.95 A resolution. Acta Crystallogr.,Sect.D, 52, 1996
|
|
1AXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1axo by Molmil](/molmil-images/mine/1axo) | STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC) | Authors: | Feng, B, Gorin, A.A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J. | Deposit date: | 1997-10-16 | Release date: | 1998-07-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural alignment of the (+)-trans-anti-benzo[a]pyrene-dG adduct positioned opposite dC at a DNA template-primer junction. Biochemistry, 36, 1997
|
|
1KEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kee by Molmil](/molmil-images/mine/1kee) | Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase by the Antibiotic Acivicin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Carbamoyl-phosphate synthetase large chain, ... | Authors: | Miles, B.W, Thoden, J.B, Holden, H.M, Raushel, F.M. | Deposit date: | 2001-11-15 | Release date: | 2001-12-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inactivation of the amidotransferase activity of carbamoyl phosphate synthetase by the antibiotic acivicin. J.Biol.Chem., 277, 2002
|
|
1C4V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c4v by Molmil](/molmil-images/mine/1c4v) | SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES. | Descriptor: | 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO [1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE, HIRUGEN, SODIUM ION, ... | Authors: | Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A. | Deposit date: | 1999-09-25 | Release date: | 2000-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
|
|
1C4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c4u by Molmil](/molmil-images/mine/1c4u) | SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES. | Descriptor: | 2-[2-(4-BROMO-BENZENESULFONYL)-ETHYL]-1-3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE, PROTEIN (HIRUGEN), SODIUM ION, ... | Authors: | Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A. | Deposit date: | 1999-09-25 | Release date: | 2000-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
|
|
1C4Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c4y by Molmil](/molmil-images/mine/1c4y) | SELECTIVE NON-ELECTROPHILIC THROMBIN INHIBITORS | Descriptor: | 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID [4-(2-AMINO-3H-IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE, HIRUGEN, THROMBIN:LONG CHAIN, ... | Authors: | Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A. | Deposit date: | 1999-10-05 | Release date: | 2000-10-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
|
|
1KXH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kxh by Molmil](/molmil-images/mine/1kxh) | Crystal structure of the complex between an inactive mutant of psychrophilic alpha-amylase (D174N) and acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Aghajari, N, Haser, R. | Deposit date: | 2002-01-31 | Release date: | 2002-06-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic evidence of a transglycosylation reaction: ternary complexes of a psychrophilic alpha-amylase. Biochemistry, 41
|
|
5OD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5od6 by Molmil](/molmil-images/mine/5od6) | |
2PFX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pfx by Molmil](/molmil-images/mine/2pfx) | |
1BUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1buq by Molmil](/molmil-images/mine/1buq) | SOLUTION STRUCTURE OF DELTA-5-3-KETOSTEROID ISOMERASE COMPLEXED WITH THE STEROID 19-NORTESTOSTERONE-HEMISUCCINATE | Descriptor: | PROTEIN (3-KETOSTEROID ISOMERASE-19-NORTESTOSTERONE-HEMISUCCINATE), SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER | Authors: | Massiah, M.A, Abeygunawardana, C, Gittis, A.G, Mildvan, A.S. | Deposit date: | 1998-09-04 | Release date: | 1999-01-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of Delta 5-3-ketosteroid isomerase complexed with the steroid 19-nortestosterone hemisuccinate. Biochemistry, 37, 1998
|
|
1BRR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1brr by Molmil](/molmil-images/mine/1brr) | X-RAY STRUCTURE OF THE BACTERIORHODOPSIN TRIMER/LIPID COMPLEX | Descriptor: | 3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL, 3-O-sulfo-beta-D-galactopyranose-(1-6)-alpha-D-mannopyranose-(1-2)-alpha-D-glucopyranose, GLYCEROL, ... | Authors: | Essen, L.-O, Siegert, R, Oesterhelt, D. | Deposit date: | 1998-07-28 | Release date: | 1998-09-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Lipid patches in membrane protein oligomers: crystal structure of the bacteriorhodopsin-lipid complex Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
1CXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cxv by Molmil](/molmil-images/mine/1cxv) | STRUCTURE OF RECOMBINANT MOUSE COLLAGENASE-3 (MMP-13) | Descriptor: | 2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE, CALCIUM ION, PROTEIN (COLLAGENASE-3), ... | Authors: | Botos, I, Meyer, E, Swanson, S.M, Lemaitre, V, Eeckhout, Y, Meyer, E.F. | Deposit date: | 1999-08-30 | Release date: | 2000-08-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of recombinant mouse collagenase-3 (MMP-13). J.Mol.Biol., 292, 1999
|
|
1D1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d1x by Molmil](/molmil-images/mine/1d1x) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,4-PBITU (H4B BOUND) | Descriptor: | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-09-21 | Release date: | 2001-07-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase. J.Biol.Chem., 276, 2001
|
|
5ODG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5odg by Molmil](/molmil-images/mine/5odg) | Crystal structure of Smad3-MH1 bound to the GGCT site. | Descriptor: | CHLORIDE ION, DNA (5'-D(P*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 3, ... | Authors: | Kaczmarska, Z, Marquez, J.A, Macias, M.J. | Deposit date: | 2017-07-05 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors. Nat Commun, 8, 2017
|
|
1JDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jdb by Molmil](/molmil-images/mine/1jdb) | CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIA COLI | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBAMOYL PHOSPHATE SYNTHETASE, CHLORIDE ION, ... | Authors: | Thoden, J.B, Holden, H.M, Wesenberg, G, Raushel, F.M, Rayment, I. | Deposit date: | 1997-03-25 | Release date: | 1998-06-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of carbamoyl phosphate synthetase determined to 2.1 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
|
|
5OJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ojy by Molmil](/molmil-images/mine/5ojy) | Co-complex structure of regulator protein 2 (PamR2) with pamamycin 607 from Streptomyces alboniger | Descriptor: | CITRIC ACID, GLYCEROL, Pamamycin 607, ... | Authors: | Schmelz, S, Rebets, Y, Luzhetskyy, A, Scrima, A. | Deposit date: | 2017-07-24 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Design, development and application of whole-cell based antibiotic-specific biosensor. Metab. Eng., 47, 2018
|
|