3QYW
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![BU of 3qyw by Molmil](/molmil-images/mine/3qyw) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 6-(3-bromophenyl)-7H-purin-2-amine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G. | Deposit date: | 2011-03-04 | Release date: | 2011-08-24 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
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3HSO
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![BU of 3hso by Molmil](/molmil-images/mine/3hso) | Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(1) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-HYDROXY-L-ARGININE, ... | Authors: | Doukov, T, Li, H, Soltis, M, Poulos, T.L. | Deposit date: | 2009-06-10 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Single crystal structural and absorption spectral characterizations of nitric oxide synthase complexed with N(omega)-hydroxy-L-arginine and diatomic ligands. Biochemistry, 48, 2009
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3R1H
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![BU of 3r1h by Molmil](/molmil-images/mine/3r1h) | Crystal structure of the Class I ligase ribozyme-substrate preligation complex, C47U mutant, Ca2+ bound | Descriptor: | 5'-R(*UP*CP*CP*AP*GP*UP*A)-3', CALCIUM ION, Class I ligase ribozyme, ... | Authors: | Shechner, D.M, Bartel, D.P. | Deposit date: | 2011-03-10 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The structural basis of RNA-catalyzed RNA polymerization. Nat.Struct.Mol.Biol., 18, 2011
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4HHV
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![BU of 4hhv by Molmil](/molmil-images/mine/4hhv) | Crystal structure of ceramide transfer protein pleckstrin homology domain | Descriptor: | ACETATE ION, CHLORIDE ION, Collagen type IV alpha-3-binding protein, ... | Authors: | Prashek, J, Truong, T, Yao, X. | Deposit date: | 2012-10-10 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the Pleckstrin Homology Domain from the Ceramide Transfer Protein: Implications for Conformational Change upon Ligand Binding. Plos One, 8, 2013
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3WJO
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![BU of 3wjo by Molmil](/molmil-images/mine/3wjo) | Crystal structure of Octaprenyl Pyrophosphate synthase from Escherichia coli with isopentenyl pyrophosphate (IPP) | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Octaprenyl diphosphate synthase | Authors: | Han, X, Chen, C.C, Kuo, C.J, Huang, C.H, Zheng, Y, Ko, T.P, Zhu, Z, Feng, X, Oldfield, E, Liang, P.H, Guo, R.T, Ma, Y.H. | Deposit date: | 2013-10-12 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structures of ligand-bound octaprenyl pyrophosphate synthase from Escherichia coli reveal the catalytic and chain-length determining mechanisms. Proteins, 83, 2015
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3FO6
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![BU of 3fo6 by Molmil](/molmil-images/mine/3fo6) | Crystal structure of guanine riboswitch bound to 6-O-methylguanine | Descriptor: | 6-O-methylguanine, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Gilbert, S.D, Reyes, F.E, Batey, R.T. | Deposit date: | 2008-12-28 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs. Structure, 17, 2009
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5UTD
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![BU of 5utd by Molmil](/molmil-images/mine/5utd) | Sperm whale myoglobin V68A/I107Y with nitrite | Descriptor: | Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2017-02-14 | Release date: | 2018-02-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
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2H26
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![BU of 2h26 by Molmil](/molmil-images/mine/2h26) | human CD1b in complex with endogenous phosphatidylcholine and spacer | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Garcia-Alles, L.F, Maveyraud, L, Vallina, A.T, Guillet, V, Mourey, L. | Deposit date: | 2006-05-18 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Endogenous phosphatidylcholine and a long spacer ligand stabilize the lipid-binding groove of CD1b. Embo J., 25, 2006
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3WJK
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![BU of 3wjk by Molmil](/molmil-images/mine/3wjk) | Crystal structure of Octaprenyl Pyrophosphate synthase from Escherichia coli | Descriptor: | Octaprenyl diphosphate synthase | Authors: | Han, X, Chen, C.C, Kuo, C.J, Huang, C.H, Zheng, Y, Ko, T.P, Zhu, Z, Feng, X, Oldfield, E, Liang, P.H, Guo, R.T, Ma, Y.H. | Deposit date: | 2013-10-11 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of ligand-bound octaprenyl pyrophosphate synthase from Escherichia coli reveal the catalytic and chain-length determining mechanisms. Proteins, 83, 2015
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1JOJ
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![BU of 1joj by Molmil](/molmil-images/mine/1joj) | CONCANAVALIN A-HEXAPEPTIDE COMPLEX | Descriptor: | CALCIUM ION, Concanavalin-Br, HEXAPEPTIDE, ... | Authors: | Jain, D, Kaur, K, Salunke, D.M. | Deposit date: | 2001-07-30 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Enhanced binding of a rationally designed peptide ligand of concanavalin a arises from improved geometrical complementarity. Biochemistry, 40, 2001
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1JZK
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![BU of 1jzk by Molmil](/molmil-images/mine/1jzk) | Crystal Structure of Scapharca inaequivalvis HbI, I114F mutant (deoxy) | Descriptor: | GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. | Deposit date: | 2001-09-16 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 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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4QR6
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2C9W
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![BU of 2c9w by Molmil](/molmil-images/mine/2c9w) | CRYSTAL STRUCTURE OF SOCS-2 IN COMPLEX WITH ELONGIN-B AND ELONGIN-C AT 1.9A RESOLUTION | Descriptor: | NICKEL (II) ION, SULFATE ION, SUPPRESSOR OF CYTOKINE SIGNALING 2, ... | Authors: | Debreczeni, J.E, Bullock, A, Amos, A, Savitsky, P, Barr, A, Burgess, N, Sundstrom, M, Weigelt, J, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2005-12-14 | Release date: | 2006-02-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the SOCS2-elongin C-elongin B complex defines a prototypical SOCS box ubiquitin ligase. Proc. Natl. Acad. Sci. U.S.A., 103, 2006
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3WJN
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![BU of 3wjn by Molmil](/molmil-images/mine/3wjn) | Crystal structure of Octaprenyl Pyrophosphate synthase from Escherichia coli with farnesyl S-thiol-pyrophosphate (FSPP) | Descriptor: | Octaprenyl diphosphate synthase, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE | Authors: | Han, X, Chen, C.C, Kuo, C.J, Huang, C.H, Zheng, Y, Ko, T.P, Zhu, Z, Feng, X, Oldfield, E, Liang, P.H, Guo, R.T, Ma, Y.H. | Deposit date: | 2013-10-12 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of ligand-bound octaprenyl pyrophosphate synthase from Escherichia coli reveal the catalytic and chain-length determining mechanisms. Proteins, 83, 2015
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8Q2R
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![BU of 8q2r by Molmil](/molmil-images/mine/8q2r) | Crystal structure of YTHDC1 in complex with Compound 3 (ZA_431) | Descriptor: | 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Zalesak, F, Li, Y, Caflisch, A. | Deposit date: | 2023-08-03 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
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8Q2Y
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8Q3G
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![BU of 8q3g by Molmil](/molmil-images/mine/8q3g) | |
8Q2X
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8Q4W
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![BU of 8q4w by Molmil](/molmil-images/mine/8q4w) | Crystal structure of YTHDC1 in complex with Compound 40 (CS_3a) | Descriptor: | 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Zalesak, F, Caflisch, A. | Deposit date: | 2023-08-07 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
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8Q3A
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8Q4N
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8VFW
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![BU of 8vfw by Molmil](/molmil-images/mine/8vfw) | Crystal Structure of V113N D-Dopachrome Tautomerase (D-DT) | Descriptor: | CITRIC ACID, D-dopachrome decarboxylase | Authors: | Parkins, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-22 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8VFO
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![BU of 8vfo by Molmil](/molmil-images/mine/8vfo) | Crystal Structure of L117G Variant of D-Dopachrome Tautomerase (D-DT) | Descriptor: | CITRIC ACID, D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8Q2S
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8VG8
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![BU of 8vg8 by Molmil](/molmil-images/mine/8vg8) | Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Bound to 4CPPC | Descriptor: | 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-23 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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