1B6M
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![BU of 1b6m by Molmil](/molmil-images/mine/1b6m) | HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6 | Descriptor: | RETROPEPSIN, SULFATE ION, [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | Deposit date: | 1999-01-17 | Release date: | 2000-01-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease. Biochemistry, 38, 1999
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1C4V
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![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
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1C4U
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![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
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5CE4
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![BU of 5ce4 by Molmil](/molmil-images/mine/5ce4) | High Resolution X-Ray and Neutron diffraction structure of H-FABP | Descriptor: | Fatty acid-binding protein, heart, OLEIC ACID | Authors: | Podjarny, A.D, Howard, E.I, Blakeley, M.P, Guillot, B. | Deposit date: | 2015-07-06 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION | Cite: | High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP-oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution. Iucrj, 3, 2016
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3O2J
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![BU of 3o2j by Molmil](/molmil-images/mine/3o2j) | Structure of the GluA2 NTD-dimer interface mutant, N54A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2 | Authors: | Rossmann, M, Sukumaran, M, Penn, A.C, Veprintsev, D.B, Greger, I.H. | Deposit date: | 2010-07-22 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Subunit-selective N-terminal domain associations organize the formation of AMPA receptor heteromers Embo J., 30, 2011
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1C4Y
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![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
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3NTL
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![BU of 3ntl by Molmil](/molmil-images/mine/3ntl) | |
1C5H
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![BU of 1c5h by Molmil](/molmil-images/mine/1c5h) | HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE | Descriptor: | ENDO-1,4-BETA-XYLANASE | Authors: | Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P. | Deposit date: | 1999-11-24 | Release date: | 2000-05-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase. J.Mol.Biol., 299, 2000
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1C5B
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![BU of 1c5b by Molmil](/molmil-images/mine/1c5b) | DECARBOXYLASE CATALYTIC ANTIBODY 21D8 UNLIGANDED FORM | Descriptor: | CHIMERIC DECARBOXYLASE ANTIBODY 21D8 | Authors: | Hotta, K, Wilson, I.A. | Deposit date: | 1999-11-08 | Release date: | 2000-10-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8. J.Mol.Biol., 302, 2000
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2EJ1
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![BU of 2ej1 by Molmil](/molmil-images/mine/2ej1) | Crystal structure of Cel44A, GH family 44 endoglucanase from Clostridium thermocellum | Descriptor: | CALCIUM ION, CHLORIDE ION, Endoglucanase, ... | Authors: | Kitago, Y, Karita, S, Watanabe, N, Sakka, K, Tanaka, I. | Deposit date: | 2007-03-14 | Release date: | 2007-09-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Cel44A, a glycoside hydrolase family 44 endoglucanase from Clostridium thermocellum. J.Biol.Chem., 282, 2007
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2J5D
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![BU of 2j5d by Molmil](/molmil-images/mine/2j5d) | NMR structure of BNIP3 transmembrane domain in lipid bicelles | Descriptor: | BCL2/ADENOVIRUS E1B 19 KDA PROTEIN-INTERACTING PROTEIN 3 | Authors: | Bocharov, E.V, Pustovalova, Y.E, Volynsky, P.E, Maslennikov, I.V, Goncharuk, M.V, Ermolyuk, Y.S, Arseniev, A.S. | Deposit date: | 2006-09-14 | Release date: | 2007-04-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Unique dimeric structure of BNip3 transmembrane domain suggests membrane permeabilization as a cell death trigger. J. Biol. Chem., 282, 2007
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1C5I
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![BU of 1c5i by Molmil](/molmil-images/mine/1c5i) | HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE | Descriptor: | ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol | Authors: | Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P. | Deposit date: | 1999-11-24 | Release date: | 2000-05-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase. J.Mol.Biol., 299, 2000
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3O55
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![BU of 3o55 by Molmil](/molmil-images/mine/3o55) | Crystal structure of human FAD-linked augmenter of liver regeneration (ALR) | Descriptor: | Augmenter of liver regeneration, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Banci, L, Bertini, I, Calderone, V, Cefaro, C, Ciofi-Baffoni, S, Gallo, A, Kallergi, E, Lionaki, E, Pozidis, C, Tokatlidis, K. | Deposit date: | 2010-07-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular recognition and substrate mimicry drive the electron-transfer process between MIA40 and ALR. Proc.Natl.Acad.Sci.USA, 108, 2011
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1C5C
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![BU of 1c5c by Molmil](/molmil-images/mine/1c5c) | DECARBOXYLASE CATALYTIC ANTIBODY 21D8-HAPTEN COMPLEX | Descriptor: | 2-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACID, CHIMERIC DECARBOXYLASE ANTIBODY 21D8, GLYCEROL | Authors: | Hotta, K, Wilson, I.A. | Deposit date: | 1999-11-09 | Release date: | 2000-10-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8. J.Mol.Biol., 302, 2000
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3NQ3
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![BU of 3nq3 by Molmil](/molmil-images/mine/3nq3) | Bovine beta-lactoglobulin complex with capric acid | Descriptor: | Beta-lactoglobulin, CHLORIDE ION, DECANOIC ACID, ... | Authors: | Loch, J.I, Lewinski, K. | Deposit date: | 2010-06-29 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Two modes of fatty acid binding to bovine beta-lactoglobulin-crystallographic and spectroscopic studies J.Mol.Recognit., 24, 2011
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3NVE
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![BU of 3nve by Molmil](/molmil-images/mine/3nve) | |
5DD8
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![BU of 5dd8 by Molmil](/molmil-images/mine/5dd8) | The Crystal structure of HucR mutant (HucR-E48Q) from Deinococcus radiodurans | Descriptor: | CHLORIDE ION, Transcriptional regulator, MarR family | Authors: | Deochand, D.K, Perera, I.C, Crochet, R.B, Gilbert, N.C, Newcomer, M.E, Grove, A. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Histidine switch controlling pH-dependent protein folding and DNA binding in a transcription factor at the core of synthetic network devices. Mol Biosyst, 12, 2016
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3OAI
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![BU of 3oai by Molmil](/molmil-images/mine/3oai) | Crystal structure of the extra-cellular domain of human myelin protein zero | Descriptor: | Maltose-binding periplasmic protein, Myelin protein P0, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Sohi, J, Kamholz, J, Kovari, L.C. | Deposit date: | 2010-08-05 | Release date: | 2011-12-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the extracellular domain of human myelin protein zero. Proteins, 80, 2012
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2J8G
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![BU of 2j8g by Molmil](/molmil-images/mine/2j8g) | |
3NYE
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![BU of 3nye by Molmil](/molmil-images/mine/3nye) | |
3O1A
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![BU of 3o1a by Molmil](/molmil-images/mine/3o1a) | |
5DGX
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![BU of 5dgx by Molmil](/molmil-images/mine/5dgx) | 1.73 Angstrom resolution crystal structure of the ABC-ATPase domain (residues 357-609) of lipid A transport protein (msbA) from Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipid A export ATP-binding/permease protein MsbA | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-08-28 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | 1.73 Angstrom resolution crystal structure of the ABC-ATPase domain (residues 357-609) of lipid A transport protein (msbA) from Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP To Be Published
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2IHO
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![BU of 2iho by Molmil](/molmil-images/mine/2iho) | Crystal structure of MOA, a lectin from the mushroom Marasmius oreades in complex with the trisaccharide Gal(1,3)Gal(1,4)GlcNAc | Descriptor: | Lectin, beta-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Grahn, E, Askarieh, G, Holmner, A, Tateno, H, Winter, H.C, Goldstein, I.J, Krengel, U. | Deposit date: | 2006-09-27 | Release date: | 2007-05-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal structure of the marasmius oreades mushroom lectin in complex with a xenotransplantation epitope. J.Mol.Biol., 369, 2007
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1C7W
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![BU of 1c7w by Molmil](/molmil-images/mine/1c7w) | NMR SOLUTION STRUCTURE OF THE CALCIUM-BOUND C-TERMINAL DOMAIN (W81-S161) OF CALCIUM VECTOR PROTEIN FROM AMPHIOXUS | Descriptor: | CALCIUM VECTOR PROTEIN | Authors: | Theret, I, Baladi, S, Cox, J.A, Sakamoto, H, Craescu, C.T. | Deposit date: | 2000-03-27 | Release date: | 2000-04-12 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Sequential calcium binding to the regulatory domain of calcium vector protein reveals functional asymmetry and a novel mode of structural rearrangement. Biochemistry, 39, 2000
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1CCZ
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![BU of 1ccz by Molmil](/molmil-images/mine/1ccz) | CRYSTAL STRUCTURE OF THE CD2-BINDING DOMAIN OF CD58 (LYMPHOCYTE FUNCTION-ASSOCIATED ANTIGEN 3) AT 1.8-A RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (CD58) | Authors: | Ikemizu, S, Sparks, L.M, Van Der Merwe, P.A, Harlos, K, Stuart, D.I, Jones, E.Y, Davis, S.J. | Deposit date: | 1999-03-02 | Release date: | 1999-04-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the CD2-binding domain of CD58 (lymphocyte function-associated antigen 3) at 1.8-A resolution. Proc.Natl.Acad.Sci.USA, 96, 1999
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