3UYC
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![BU of 3uyc by Molmil](/molmil-images/mine/3uyc) | Designed protein KE59 R8_2/7A | Descriptor: | Kemp eliminase KE59 R8_2/7A, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-06 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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2X95
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![BU of 2x95 by Molmil](/molmil-images/mine/2x95) | Crystal structure of AnCE-lisinopril-tryptophan analogue, lisW-S complex | Descriptor: | (S)-1-N2-(1-CARBOXY-3-PHENYLPROPYL)-L-LYSYL-L-TRYPTOPHAN, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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2X96
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![BU of 2x96 by Molmil](/molmil-images/mine/2x96) | Crystal structure of AnCE-RXPA380 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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2SKC
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![BU of 2skc by Molmil](/molmil-images/mine/2skc) | PYRIDOXAL PHOSPHORYLASE B IN COMPLEX WITH FLUOROPHOSPHATE, GLUCOSE AND INOSINE-5'-MONOPHOSPHATE | Descriptor: | FLUORO-PHOSPHITE ION, INOSINIC ACID, PYRIDOXAL PHOSPHORYLASE B, ... | Authors: | Oikonomakos, N.G, Zographos, S.E, Tsitsanou, K.E, Johnson, L.N, Acharya, K.R. | Deposit date: | 1998-12-11 | Release date: | 1998-12-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Activator anion binding site in pyridoxal phosphorylase b: the binding of phosphite, phosphate, and fluorophosphate in the crystal. Protein Sci., 5, 1996
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2X90
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![BU of 2x90 by Molmil](/molmil-images/mine/2x90) | Crystal structure of AnCE-enalaprilat complex | Descriptor: | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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2X94
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![BU of 2x94 by Molmil](/molmil-images/mine/2x94) | Crystal structure of AnCE-perindoprilat complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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2X8Z
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![BU of 2x8z by Molmil](/molmil-images/mine/2x8z) | Crystal structure of AnCE-captopril complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, L-CAPTOPRIL, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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2X91
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![BU of 2x91 by Molmil](/molmil-images/mine/2x91) | Crystal structure of AnCE-lisinopril complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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3TQ8
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![BU of 3tq8 by Molmil](/molmil-images/mine/3tq8) | Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | Authors: | Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-11-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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2WK6
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![BU of 2wk6 by Molmil](/molmil-images/mine/2wk6) | Structural features of native human thymidine phosphorylase and in complex with 5-iodouracil | Descriptor: | 5-IODOURACIL, THYMIDINE PHOSPHORYLASE | Authors: | Mitsiki, E, Papageorgiou, A.C, Iyer, S, Thiyagarajan, N, Prior, S.H, Sleep, D, Finnis, C, Acharya, K.R. | Deposit date: | 2009-06-05 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil. Biochem.Biophys.Res.Commun., 386, 2009
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393D
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![BU of 393d by Molmil](/molmil-images/mine/393d) | |
1UN3
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![BU of 1un3 by Molmil](/molmil-images/mine/1un3) | |
3V1T
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![BU of 3v1t by Molmil](/molmil-images/mine/3v1t) | |
1UN4
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![BU of 1un4 by Molmil](/molmil-images/mine/1un4) | |
3V9B
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![BU of 3v9b by Molmil](/molmil-images/mine/3v9b) | |
1ZUN
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![BU of 1zun by Molmil](/molmil-images/mine/1zun) | Crystal Structure of a GTP-Regulated ATP Sulfurylase Heterodimer from Pseudomonas syringae | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Mougous, J.D, Lee, D.H, Hubbard, S.C, Schelle, M.W, Vocadlo, D.J, Berger, J.M, Bertozzi, C.R. | Deposit date: | 2005-05-31 | Release date: | 2006-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis for g protein control of the prokaryotic ATP sulfurylase. Mol.Cell, 21, 2006
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2GJ5
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![BU of 2gj5 by Molmil](/molmil-images/mine/2gj5) | Crystal structure of a secondary vitamin D3 binding site of milk beta-lactoglobulin | Descriptor: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, Beta-lactoglobulin | Authors: | Yang, M.C, Guan, H.H, Liu, M.Y, Yang, J.M, Chen, W.L, Chen, C.J, Mao, S.J. | Deposit date: | 2006-03-30 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a secondary vitamin D3 binding site of milk beta-lactoglobulin. Proteins, 71, 2008
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4NJA
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![BU of 4nja by Molmil](/molmil-images/mine/4nja) | Crystal structure of Fab 6C8 in complex with MPTS | Descriptor: | 6C8 heavy chain, 6C8 light chain, 8-methoxypyrene-1,3,6-trisulfonic acid, ... | Authors: | Stanfield, R.L, Romesberg, F.E, Zimmermann, J, Wilson, I.A. | Deposit date: | 2013-11-08 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation. Biochemistry, 54, 2015
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4NPS
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![BU of 4nps by Molmil](/molmil-images/mine/4nps) | Crystal Structure of Bep1 protein (VirB-translocated Bartonella effector protein) from Bartonella clarridgeiae | Descriptor: | ACETATE ION, Bartonella effector protein (Bep) substrate of VirB T4SS | Authors: | Dranow, D.M, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2013-11-22 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module. Microorganisms, 9, 2021
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2XFE
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![BU of 2xfe by Molmil](/molmil-images/mine/2xfe) | vCBM60 in complex with galactobiose | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING MODULE, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D.P, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-05-21 | Release date: | 2010-06-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules. J.Biol.Chem., 285, 2010
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1WUE
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![BU of 1wue by Molmil](/molmil-images/mine/1wue) | Crystal structure of protein GI:29375081, unknown member of enolase superfamily from enterococcus faecalis V583 | Descriptor: | mandelate racemase/muconate lactonizing enzyme family protein | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-12-05 | Release date: | 2004-12-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family Proc.Natl.Acad.Sci.USA, 111, 2014
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1WQ6
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![BU of 1wq6 by Molmil](/molmil-images/mine/1wq6) | The tetramer structure of the nervy homolgy two (NHR2) domain of AML1-ETO is critical for AML1-ETO'S activity | Descriptor: | AML1-ETO | Authors: | Liu, Y, Cheney, M.D, Chruszcz, M, Lukasik, S.M, Hartman, K.L, Laue, T.M, Dauter, Z, Minor, W, Speck, N.A, Bushweller, J.H. | Deposit date: | 2004-09-23 | Release date: | 2005-10-04 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The tetramer structure of the Nervy homology two domain, NHR2, is critical for AML1/ETO's activity Cancer Cell, 9, 2006
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1WUF
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![BU of 1wuf by Molmil](/molmil-images/mine/1wuf) | Crystal structure of protein GI:16801725, member of Enolase superfamily from Listeria innocua Clip11262 | Descriptor: | MAGNESIUM ION, hypothetical protein lin2664 | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-12-07 | Release date: | 2004-12-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family Proc.Natl.Acad.Sci.USA, 111, 2014
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3QAI
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![BU of 3qai by Molmil](/molmil-images/mine/3qai) | X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 3 | Descriptor: | Ketohexokinase, N~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION | Authors: | Abad, M.C. | Deposit date: | 2011-01-11 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett, 2, 2011
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3Q92
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![BU of 3q92 by Molmil](/molmil-images/mine/3q92) | X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 1 | Descriptor: | Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION | Authors: | Abad, M.C. | Deposit date: | 2011-01-07 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett, 2, 2011
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