6TLL
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![BU of 6tll by Molmil](/molmil-images/mine/6tll) | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE (tBBT) | Descriptor: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
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6TLW
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![BU of 6tlw by Molmil](/molmil-images/mine/6tlw) | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4-BROMOBENZOTRIAZOLE | Descriptor: | 7-bromanyl-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
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6TG7
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![BU of 6tg7 by Molmil](/molmil-images/mine/6tg7) | |
6TE2
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![BU of 6te2 by Molmil](/molmil-images/mine/6te2) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 17 | Descriptor: | 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | Deposit date: | 2019-11-11 | Release date: | 2020-07-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (0.922 Å) | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. J.Med.Chem., 63, 2020
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1K1J
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![BU of 1k1j by Molmil](/molmil-images/mine/1k1j) | BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER, 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 (2.2 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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1K1M
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![BU of 1k1m by Molmil](/molmil-images/mine/1k1m) | BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE, 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 (2.2 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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1JYJ
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![BU of 1jyj by Molmil](/molmil-images/mine/1jyj) | Crystal Structure of a Double Variant (W67L/W91H) of Recombinant Human Serum Retinol-binding Protein at 2.0 A Resolution | Descriptor: | GLYCEROL, PLASMA RETINOL-BINDING PROTEIN | Authors: | Greene, L.H, Chrysina, E.D, Irons, L.I, Papageorgiou, A.C, Acharya, K.R, Brew, K. | Deposit date: | 2001-09-12 | Release date: | 2003-07-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Role of Conserved Residues in Structure and Stability: Tryptophans of Human Serum Retinol-Binding Protein, a Model for the Lipocalin Superfamily Protein Sci., 10, 2001
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1JYQ
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![BU of 1jyq by Molmil](/molmil-images/mine/1jyq) | Xray Structure of Grb2 SH2 Domain Complexed with a Highly Affine Phospho Peptide | Descriptor: | GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, mAZ-pY-(alpha Me)pY-N-NH2 peptide inhibitor | Authors: | Nioche, P, Liu, W.-Q, Broutin, I, Charbonnier, F, Latreille, M.-T, Vidal, M, Roques, B, Garbay, C, Ducruix, A. | Deposit date: | 2001-09-13 | Release date: | 2002-03-13 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the SH2 domain of Grb2: highlight on the binding of a new high-affinity inhibitor. J.Mol.Biol., 315, 2002
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1K1P
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![BU of 1k1p by Molmil](/molmil-images/mine/1k1p) | BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, TRYPSIN, [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-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 (1.9 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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1JKK
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![BU of 1jkk by Molmil](/molmil-images/mine/1jkk) | 2.4A X-RAY STRUCTURE OF TERNARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE AND MG. | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | Deposit date: | 2001-07-12 | Release date: | 2002-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression. Nat.Struct.Biol., 8, 2001
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1JLD
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![BU of 1jld by Molmil](/molmil-images/mine/1jld) | Potent hiv protease inhibitors containing a novel (hydroxyethyl)amide isostere | Descriptor: | (2S)-2-tert-butyl-N~4~-(1-ethylpropyl)-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]butanediamide, Pol polyprotein | Authors: | Tong, L. | Deposit date: | 1997-05-31 | Release date: | 1997-12-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere. J.Med.Chem., 40, 1997
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3NAR
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![BU of 3nar by Molmil](/molmil-images/mine/3nar) | Crystal structure of ZHX1 HD4 (zinc-fingers and homeoboxes protein 1, homeodomain 4) | Descriptor: | SULFATE ION, Zinc fingers and homeoboxes protein 1 | 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 (2.6 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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3NBS
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![BU of 3nbs by Molmil](/molmil-images/mine/3nbs) | Crystal structure of dimeric cytochrome c from horse heart | Descriptor: | Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ... | Authors: | Taketa, M, Komori, H, Hirota, S, Higuchi, Y. | Deposit date: | 2010-06-04 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cytochrome c polymerization by successive domain swapping at the C-terminal helix Proc.Natl.Acad.Sci.USA, 107, 2010
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1JP6
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1JTP
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![BU of 1jtp by Molmil](/molmil-images/mine/1jtp) | Degenerate interfaces in antigen-antibody complexes | Descriptor: | FORMIC ACID, LYSOZYME C, SODIUM ION, ... | Authors: | Decanniere, K, Transue, T.R, Desmyter, A, Maes, D, Muyldermans, S, Wyns, L. | Deposit date: | 2001-08-21 | Release date: | 2001-12-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Degenerate interfaces in antigen-antibody complexes. J.Mol.Biol., 313, 2001
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1JV8
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![BU of 1jv8 by Molmil](/molmil-images/mine/1jv8) | NMR Structure of BPTI Mutant G37A | Descriptor: | TRYPSIN INHIBITOR | Authors: | Battiste, J.L, Li, R, Woodward, C. | Deposit date: | 2001-08-28 | Release date: | 2001-09-12 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | A highly destabilizing mutation, G37A, of the bovine pancreatic trypsin inhibitor retains the average native conformation but greatly increases local flexibility Biochemistry, 41, 2002
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1JWN
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![BU of 1jwn by Molmil](/molmil-images/mine/1jwn) | Crystal Structure of Scapharca inaequivalvis HbI, I114F Mutant Ligated to Carbon Monoxide. | Descriptor: | CARBON MONOXIDE, Globin I - Ark Shell, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. | Deposit date: | 2001-09-04 | Release date: | 2001-12-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Restricting the ligand-linked heme movement in Scapharca dimeric hemoglobin reveals tight coupling between distal and proximal contributions to cooperativity. Biochemistry, 40, 2001
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1K1A
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![BU of 1k1a by Molmil](/molmil-images/mine/1k1a) | Crystal structure of the ankyrin repeat domain of Bcl-3: a unique member of the IkappaB protein family | Descriptor: | B-cell lymphoma 3-encoded protein | Authors: | Michel, F, Soler-Lopez, M, Petosa, C, Cramer, P, Siebenlist, U, Mueller, C.W. | Deposit date: | 2001-09-24 | Release date: | 2001-11-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structure of the ankyrin repeat domain of Bcl-3: a unique member of the IkappaB protein family. EMBO J., 20, 2001
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1JDO
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1JAH
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![BU of 1jah by Molmil](/molmil-images/mine/1jah) | H-RAS P21 PROTEIN MUTANT G12P, COMPLEXED WITH GUANOSINE-5'-[BETA,GAMMA-METHYLENE] TRIPHOSPHATE AND MAGNESIUM | Descriptor: | C-HA-RAS, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Schweins, T, Scheffzek, K, Assheuer, R, Wittinghofer, A. | Deposit date: | 1996-12-15 | Release date: | 1997-07-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The role of the metal ion in the p21ras catalysed GTP-hydrolysis: Mn2+ versus Mg2+. J.Mol.Biol., 266, 1997
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1JAI
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![BU of 1jai by Molmil](/molmil-images/mine/1jai) | H-RAS P21 PROTEIN MUTANT G12P, COMPLEXED WITH GUANOSINE-5'-[BETA,GAMMA-METHYLENE] TRIPHOSPHATE AND MANGANESE | Descriptor: | C-HA-RAS, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Schweins, T, Scheffzek, K, Assheuer, R, Wittinghofer, A. | Deposit date: | 1996-12-15 | Release date: | 1997-07-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The role of the metal ion in the p21ras catalysed GTP-hydrolysis: Mn2+ versus Mg2+. J.Mol.Biol., 266, 1997
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1JSA
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![BU of 1jsa by Molmil](/molmil-images/mine/1jsa) | MYRISTOYLATED RECOVERIN WITH TWO CALCIUMS BOUND, NMR, 24 STRUCTURES | Descriptor: | CALCIUM ION, MYRISTIC ACID, RECOVERIN | Authors: | Ames, J.B, Ishima, R, Tanaka, T, Gordon, J.I, Stryer, L, Ikura, M. | Deposit date: | 1997-06-04 | Release date: | 1997-10-15 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Molecular mechanics of calcium-myristoyl switches. Nature, 389, 1997
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3N52
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![BU of 3n52 by Molmil](/molmil-images/mine/3n52) | crystal Structure analysis of MIP2 | Descriptor: | C-X-C motif chemokine 2 | Authors: | Rajasekaran, D. | Deposit date: | 2010-05-24 | Release date: | 2011-06-08 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Model of GAG/MIP-2/CXCR2 Interfaces and Its Functional Effects. Biochemistry, 51, 2012
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1JIA
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![BU of 1jia by Molmil](/molmil-images/mine/1jia) | |
3N5C
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![BU of 3n5c by Molmil](/molmil-images/mine/3n5c) | Crystal Structure of Arf6DELTA13 complexed with GDP | Descriptor: | ADP-ribosylation factor 6, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE | Authors: | Aizel, K, Biou, V, Cherfils, J. | Deposit date: | 2010-05-25 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | SAXS and X-ray crystallography suggest an unfolding model for the GDP/GTP conformational switch of the small GTPase Arf6. J.Mol.Biol., 402, 2010
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