3N9C
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![BU of 3n9c by Molmil](/molmil-images/mine/3n9c) | Mite-y Lysozyme: Marmite | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2010-05-28 | Release date: | 2011-06-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mite-y Lysozyme Crystals and Structures To be Published
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3NMM
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![BU of 3nmm by Molmil](/molmil-images/mine/3nmm) | Human Hemoglobin A mutant alpha H58W deoxy-form | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Birukou, I, Soman, J, Olson, J.S. | Deposit date: | 2010-06-22 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Blocking the gate to ligand entry in human hemoglobin. J.Biol.Chem., 286, 2011
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3NAX
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![BU of 3nax by Molmil](/molmil-images/mine/3nax) | PDK1 in complex with inhibitor MP7 | Descriptor: | 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1 | Authors: | Yan, Y, Munshi, S.K, Allison, T. | Deposit date: | 2010-06-02 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor. J.Biol.Chem., 286, 2011
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3NEW
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![BU of 3new by Molmil](/molmil-images/mine/3new) | p38-alpha complexed with Compound 10 | Descriptor: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | Authors: | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | Deposit date: | 2010-06-09 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases. Acs Chem.Biol., 6, 2011
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3NGP
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1KDM
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![BU of 1kdm by Molmil](/molmil-images/mine/1kdm) | THE CRYSTAL STRUCTURE OF THE HUMAN SEX HORMONE-BINDING GLOBULIN (TETRAGONAL CRYSTAL FORM) | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, CALCIUM ION, sex hormone-binding globulin | Authors: | Grishkovskaya, I, Avvakumov, G.V, Hammond, G.L, Muller, Y.A. | Deposit date: | 2001-11-13 | Release date: | 2002-05-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Resolution of a disordered region at the entrance of the human sex hormone-binding globulin steroid-binding site. J.Mol.Biol., 318, 2002
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1K85
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![BU of 1k85 by Molmil](/molmil-images/mine/1k85) | Solution structure of the fibronectin type III domain from Bacillus circulans WL-12 Chitinase A1. | Descriptor: | CHITINASE A1 | Authors: | Jee, J.G, Ikegami, T, Hashimoto, M, Kawabata, T, Ikeguchi, M, Watanabe, T, Shirakawa, M. | Deposit date: | 2001-10-23 | Release date: | 2002-12-18 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Fibronectin Type III Domain
from Bacillus circulans WL-12 Chitinase A1 J.Biol.Chem., 277, 2002
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3NHZ
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![BU of 3nhz by Molmil](/molmil-images/mine/3nhz) | Structure of N-terminal Domain of MtrA | Descriptor: | MAGNESIUM ION, Two component system transcriptional regulator mtrA | Authors: | Barbieri, C.M, Mack, T.R, Robinson, V.L, Miller, M.T, Stock, A.M. | Deposit date: | 2010-06-14 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulation of response regulator autophosphorylation through interdomain contacts. J.Biol.Chem., 285, 2010
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1K9I
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![BU of 1k9i by Molmil](/molmil-images/mine/1k9i) | Complex of DC-SIGN and GlcNAc2Man3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, CALCIUM ION, mDC-SIGN1B type I isoform | Authors: | Feinberg, H, Mitchell, D.A, Drickamer, K, Weis, W.I. | Deposit date: | 2001-10-29 | Release date: | 2001-12-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for selective recognition of oligosaccharides by DC-SIGN and DC-SIGNR. Science, 294, 2001
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1KMB
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![BU of 1kmb by Molmil](/molmil-images/mine/1kmb) | SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A | Authors: | Ng, K.K.-S, Weis, W.I. | Deposit date: | 1996-11-07 | Release date: | 1997-02-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides. Biochemistry, 36, 1997
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3NLS
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![BU of 3nls by Molmil](/molmil-images/mine/3nls) | Crystal Structure of HIV-1 Protease in Complex with KNI-10772 | Descriptor: | (4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Gabelli, S.B, Kawasaki, Y, Freire, E, Amzel, L.M. | Deposit date: | 2010-06-21 | Release date: | 2011-09-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of HIV-1 Protease in Complex with KNI-10772 To be Published
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3N7O
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![BU of 3n7o by Molmil](/molmil-images/mine/3n7o) | X-ray structure of human chymase in complex with small molecule inhibitor. | Descriptor: | (S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ... | Authors: | Abad, M.C, Kervinen, J, Crysler, C, Bayoumy, S, Spurlino, J, Deckman, I, Greco, M.N, Maryanoff, B.E, Degaravilla, L. | Deposit date: | 2010-05-27 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potency variation of small-molecule chymase inhibitors across species. Biochem. Pharmacol., 80, 2010
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1KRX
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![BU of 1krx by Molmil](/molmil-images/mine/1krx) | SOLUTION STRUCTURE OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN: MODEL STRUCTURES INCORPORATING ACTIVE SITE CONTACTS | Descriptor: | BERYLLIUM TRIFLUORIDE ION, NITROGEN REGULATION PROTEIN NR(I) | Authors: | Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E. | Deposit date: | 2002-01-10 | Release date: | 2003-08-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain Biochemistry, 42, 2003
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3NAU
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![BU of 3nau by Molmil](/molmil-images/mine/3nau) | Crystal structure of ZHX2 HD2 (zinc-fingers and homeoboxes protein 2, homeodomain 2) | Descriptor: | SULFATE ION, Zinc fingers and homeoboxes protein 2 | Authors: | Ren, J, Bird, L.E, Owens, R.J, Stammers, D.K, Oxford Protein Production Facility (OPPF) | Deposit date: | 2010-06-02 | Release date: | 2010-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Novel structural features in two ZHX homeodomains derived from a systematic study of single and multiple domains Bmc Struct.Biol., 10, 2010
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1KCT
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![BU of 1kct by Molmil](/molmil-images/mine/1kct) | ALPHA1-ANTITRYPSIN | Descriptor: | ALPHA1-ANTITRYPSIN | Authors: | Song, H.K, Suh, S.W. | Deposit date: | 1996-08-06 | Release date: | 1997-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Crystal structure of an uncleaved alpha 1-antitrypsin reveals the conformation of its inhibitory reactive loop. FEBS Lett., 377, 1995
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1KOB
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![BU of 1kob by Molmil](/molmil-images/mine/1kob) | TWITCHIN KINASE FRAGMENT (APLYSIA), AUTOREGULATED PROTEIN KINASE DOMAIN | Descriptor: | TWITCHIN, VALINE | Authors: | Kobe, B, Heierhorst, J, Feil, S.C, Parker, M.W, Benian, G.M, Weiss, K.R, Kemp, B.E. | Deposit date: | 1996-06-28 | Release date: | 1997-03-12 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Giant protein kinases: domain interactions and structural basis of autoregulation. EMBO J., 15, 1996
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3NAY
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![BU of 3nay by Molmil](/molmil-images/mine/3nay) | PDK1 in complex with inhibitor MP6 | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one | Authors: | Yan, Y, Munshi, S.K, Allison, T. | Deposit date: | 2010-06-02 | Release date: | 2010-11-24 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines J.Biol.Chem., 2010
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3NC6
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![BU of 3nc6 by Molmil](/molmil-images/mine/3nc6) | CYP134A1 1-phenylimidazole bound structure | Descriptor: | 1-phenyl-1H-imidazole, Cytochrome P450 cypX, MAGNESIUM ION, ... | Authors: | Cryle, M.J, Schlichting, I. | Deposit date: | 2010-06-04 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase. Biochemistry, 49, 2010
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1KD2
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![BU of 1kd2 by Molmil](/molmil-images/mine/1kd2) | Crystal Structure of Human Deoxyhemoglobin in Absence of Any Anions | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Colombo, M.F, Seixas, F.A.V. | Deposit date: | 2001-11-12 | Release date: | 2003-06-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The X-Ray Structure of Iso-Ionic Deoxy-Hb Crystal: The High Affinity T-state of Human Hb and the Mechanism of Chloride Regulation of Hb Cooperative Oxygen Binding. To be Published
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1KE8
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![BU of 1ke8 by Molmil](/molmil-images/mine/1ke8) | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | Descriptor: | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | Deposit date: | 2001-11-14 | Release date: | 2002-05-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. J.Med.Chem., 44, 2001
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1KMA
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![BU of 1kma by Molmil](/molmil-images/mine/1kma) | NMR Structure of the Domain-I of the Kazal-type Thrombin Inhibitor Dipetalin | Descriptor: | DIPETALIN | Authors: | Schlott, B, Wohnert, J, Icke, C, Hartmann, M, Ramachandran, R, Guhrs, K.-H, Glusa, E, Flemming, J, Gorlach, M, Grosse, F, Ohlenschlager, O. | Deposit date: | 2001-12-14 | Release date: | 2002-05-15 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Interaction of Kazal-type inhibitor domains with serine proteinases: biochemical and structural studies. J.Mol.Biol., 318, 2002
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3NC3
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![BU of 3nc3 by Molmil](/molmil-images/mine/3nc3) | CYP134A1 structure with a closed substrate binding loop | Descriptor: | Cytochrome P450 cypX, GLYCEROL, MAGNESIUM ION, ... | Authors: | Cryle, M.J, Schlichting, I. | Deposit date: | 2010-06-04 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase. Biochemistry, 49, 2010
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3NDX
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![BU of 3ndx by Molmil](/molmil-images/mine/3ndx) | HIV-1 Protease Saquinavir:Ritonavir 1:50 complex structure | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Geremia, S, Olajuyigbe, F.M, Demitri, N. | Deposit date: | 2010-06-08 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
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1KT5
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![BU of 1kt5 by Molmil](/molmil-images/mine/1kt5) | Crystal structure of bovine holo-RBP at pH 4.0 | Descriptor: | Plasma retinol-binding protein, RETINOL | Authors: | Calderone, V, Berni, R, Zanotti, G. | Deposit date: | 2002-01-15 | Release date: | 2003-06-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | High-resolution Structures of Retinol-binding Protein in
Complex with Retinol: pH-induced Protein Structural
Changes in the Crystal State J.Mol.Biol., 329, 2003
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1KTH
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![BU of 1kth by Molmil](/molmil-images/mine/1kth) | |