8J8W
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![BU of 8j8w by Molmil](/molmil-images/mine/8j8w) | Crystal structure of AtHPPD-Y19788 complex | Descriptor: | 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.-Y, Dong, J, Yang, G.-F. | Deposit date: | 2023-05-02 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Crystal structure of AtHPPD-Y19788 complex To Be Published
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4RZX
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![BU of 4rzx by Molmil](/molmil-images/mine/4rzx) | |
4S0V
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![BU of 4s0v by Molmil](/molmil-images/mine/4s0v) | Crystal structure of the human OX2 orexin receptor bound to the insomnia drug Suvorexant | Descriptor: | Human Orexin receptor type 2 fusion protein to P. abysii Glycogen Synthase, OLEIC ACID, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone | Authors: | Yin, J, Kolb, P, Mobarec, J.C, Rosenbaum, D.M. | Deposit date: | 2015-01-06 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant. Nature, 519, 2015
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8JK8
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![BU of 8jk8 by Molmil](/molmil-images/mine/8jk8) | SP1746 in complex with UDP | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ... | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2023-06-01 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 32, 2024
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8JKR
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![BU of 8jkr by Molmil](/molmil-images/mine/8jkr) | SP1746 in complex with UMP | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ... | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2023-06-01 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 32, 2024
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1Z0U
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![BU of 1z0u by Molmil](/molmil-images/mine/1z0u) | Crystal structure of a NAD kinase from Archaeoglobus fulgidus bound by NADP | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable inorganic polyphosphate/ATP-NAD kinase, SULFATE ION | Authors: | Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2005-03-02 | Release date: | 2005-04-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP J.Mol.Biol., 354, 2005
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8JKP
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![BU of 8jkp by Molmil](/molmil-images/mine/8jkp) | SP1746 in complex with dTMP | Descriptor: | FE (III) ION, GLYCEROL, SULFATE ION, ... | Authors: | Jin, Y, Ke, J, Niu, L. | Deposit date: | 2023-06-01 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 32, 2024
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5FSR
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![BU of 5fsr by Molmil](/molmil-images/mine/5fsr) | Crystal structure of penicillin binding protein 6B from Escherichia coli | Descriptor: | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACD | Authors: | Peters, K, Kannan, S, Rao, V.A, Bilboy, J, Vollmer, D, Erickson, S.W, Lewis, R.J, Young, K.D, Vollmer, W. | Deposit date: | 2016-01-07 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Redundancy of Peptidoglycan Carboxypeptidases Ensures Robust Cell Shape Maintenance in Escherichia Coli Mbio, 7, 2016
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5FMV
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![BU of 5fmv by Molmil](/molmil-images/mine/5fmv) | Crystal structure of human CD45 extracellular region, domains d1-d4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C, SULFATE ION | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-09 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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5FN6
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![BU of 5fn6 by Molmil](/molmil-images/mine/5fn6) | Crystal structure of human CD45 extracellular region, domains d1-d3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-10 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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8JKA
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![BU of 8jka by Molmil](/molmil-images/mine/8jka) | SP1746 in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, FE (III) ION, SULFATE ION, ... | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2023-06-01 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 32, 2024
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4TK5
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![BU of 4tk5 by Molmil](/molmil-images/mine/4tk5) | Crystal Structure of human Tankyrase 2 in complex with EB47. | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Tankyrase-2, ZINC ION | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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5FN8
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![BU of 5fn8 by Molmil](/molmil-images/mine/5fn8) | Crystal structure of rat CD45 extracellular region, domains d3-d4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-11 | Release date: | 2016-03-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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8JK5
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![BU of 8jk5 by Molmil](/molmil-images/mine/8jk5) | Crystal structure of SP1746 from Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Descriptor: | FE (III) ION, GLYCEROL, SULFATE ION, ... | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2023-05-31 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 32, 2024
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5FNC
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![BU of 5fnc by Molmil](/molmil-images/mine/5fnc) | Dynamic Undocking and the Quasi-Bound State as tools for Drug Design | Descriptor: | 6-CHLORO-4-N-[(4-METHYLPHENYL)METHYL]PYRIMIDINE- 2,4-DIAMINE, HEAT SHOCK PROTEIN, HSP90-ALPHA, ... | Authors: | Ruiz-Carmona, S, Schmidtke, P, Luque, F.J, Baker, L.M, Matassova, N, Davis, B, Roughley, S, Murray, J, Hubbard, R, Barril, X. | Deposit date: | 2015-11-13 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dynamic undocking and the quasi-bound state as tools for drug discovery. Nat Chem, 9, 2017
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5FUW
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![BU of 5fuw by Molmil](/molmil-images/mine/5fuw) | catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP or dThd | Descriptor: | PHOSPHATE ION, THYMDINE KINASE, THYMIDINE, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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1C8J
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![BU of 1c8j by Molmil](/molmil-images/mine/1c8j) | CRYSTAL STRUCTURE OF CYTOCHROME P450CAM MUTANT (F87W/Y96F) | Descriptor: | CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Liu, Y, Jiang, F, Guo, Q, Chen, X, Jin, J, Sun, Y, Rao, Z. | Deposit date: | 2000-05-31 | Release date: | 2001-05-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Cytochrome P450cam mutant (F87W/Y96F) To be Published
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1C8U
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![BU of 1c8u by Molmil](/molmil-images/mine/1c8u) | |
1XUZ
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![BU of 1xuz by Molmil](/molmil-images/mine/1xuz) | Crystal structure analysis of sialic acid synthase (NeuB)from Neisseria meningitidis, bound to Mn2+, Phosphoenolpyruvate, and N-acetyl mannosaminitol | Descriptor: | 5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-D-GLUCITOL, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... | Authors: | Gunawan, J, Simard, D, Gilbert, M, Lovering, A.L, Wakarchuk, W.W, Tanner, M.E, Strynadka, N.C. | Deposit date: | 2004-10-26 | Release date: | 2004-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and mechanistic analysis of sialic acid synthase NeuB from Neisseria meningitidis in complex with Mn2+, phosphoenolpyruvate, and N-acetylmannosaminitol. J.Biol.Chem., 280, 2005
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5FII
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![BU of 5fii by Molmil](/molmil-images/mine/5fii) | Structure of a human aspartate kinase, chorismate mutase and TyrA domain. | Descriptor: | PHENYLALANINE, PHENYLALANINE-4-HYDROXYLASE | Authors: | Patel, D, Kopec, J, Shrestha, L, Fitzpatrick, F, Pinkas, D, Chaikuad, A, Dixon-Clarke, S, McCorvie, T.J, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2015-09-25 | Release date: | 2016-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain. Sci.Rep., 6, 2016
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8JJK
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![BU of 8jjk by Molmil](/molmil-images/mine/8jjk) | SP1746 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, GLYCEROL, ... | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2023-05-30 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 32, 2024
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1CAG
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![BU of 1cag by Molmil](/molmil-images/mine/1cag) | CRYSTAL AND MOLECULAR STRUCTURE OF A COLLAGEN-LIKE PEPTIDE AT 1.9 ANGSTROM RESOLUTION | Descriptor: | ACETIC ACID, COLLAGEN-LIKE PEPTIDE | Authors: | Bella, J, Eaton, M, Brodsky, B, Berman, H.M. | Deposit date: | 1994-03-29 | Release date: | 1994-11-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal and molecular structure of a collagen-like peptide at 1.9 A resolution. Science, 266, 1994
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8JK9
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![BU of 8jk9 by Molmil](/molmil-images/mine/8jk9) | SP1746 in complex with GDP | Descriptor: | FE (III) ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Jin, Y, Ke, J, Niu, L. | Deposit date: | 2023-06-01 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 32, 2024
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8JL1
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![BU of 8jl1 by Molmil](/molmil-images/mine/8jl1) | membrane proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ... | Authors: | Yu, J, Ge, J.P, Xu, R.S. | Deposit date: | 2023-06-02 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | membrane proteins To Be Published
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1XY9
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![BU of 1xy9 by Molmil](/molmil-images/mine/1xy9) | NMR strcutre of sst1-selective somatostatin (SRIF) analog 1 | Descriptor: | SST1-selective somatosatin analog | Authors: | Grace, C.R.R, Durrer, L, Koerber, S.C, Erchegyi, J, Reubi, J.C, Rivier, J.E, Riek, R. | Deposit date: | 2004-11-09 | Release date: | 2005-02-15 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Somatostatin receptor 1 selective analogues: 4. Three-dimensional consensus structure by NMR J.Med.Chem., 48, 2005
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