5SBS
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![BU of 5sbs by Molmil](/molmil-images/mine/5sbs) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z340495298 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.024 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
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5SBW
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![BU of 5sbw by Molmil](/molmil-images/mine/5sbw) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434874 | Descriptor: | 1,2-ETHANEDIOL, 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.148 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
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5SBV
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![BU of 5sbv by Molmil](/molmil-images/mine/5sbv) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z31721798 | Descriptor: | 1,2-ETHANEDIOL, 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.109 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
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5SC1
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![BU of 5sc1 by Molmil](/molmil-images/mine/5sc1) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z431807512 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.165 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
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5SC4
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![BU of 5sc4 by Molmil](/molmil-images/mine/5sc4) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z927412236 | Descriptor: | (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one, 1,2-ETHANEDIOL, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.165 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
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4EF6
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![BU of 4ef6 by Molmil](/molmil-images/mine/4ef6) | Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in complex with fragment 1 | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-benzodioxol-5-yl)propanoic acid, ETHANOL, ... | Authors: | Silvestre, H.L, Ciulli, A, Abell, C, Blundell, T. | Deposit date: | 2012-03-29 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc.Natl.Acad.Sci.USA, 110, 2013
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2PVS
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![BU of 2pvs by Molmil](/molmil-images/mine/2pvs) | Structure of human pancreatic lipase related protein 2 mutant N336Q | Descriptor: | CALCIUM ION, Pancreatic lipase-related protein 2, SULFATE ION | Authors: | Spinelli, S, Eydoux, C, Carriere, F, Cambillau, C. | Deposit date: | 2007-05-10 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of human pancreatic lipase-related protein 2 with the lid in an open conformation. Biochemistry, 47, 2008
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2PSP
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![BU of 2psp by Molmil](/molmil-images/mine/2psp) | |
4G5Y
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![BU of 4g5y by Molmil](/molmil-images/mine/4g5y) | Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in a ternary complex with ATP and N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ETHANOL, GLYCEROL, ... | Authors: | Ciulli, A, Silvestre, H.L, Blundell, T.L, Abell, C. | Deposit date: | 2012-07-18 | Release date: | 2013-07-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc.Natl.Acad.Sci.USA, 110, 2013
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1NAG
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![BU of 1nag by Molmil](/molmil-images/mine/1nag) | CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION | Authors: | Danishefsky, A.T, Wlodawer, A, Kim, K.-S, Tao, F, Woodward, C. | Deposit date: | 1992-08-18 | Release date: | 1993-10-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A. Protein Sci., 2, 1993
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7DC6
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![BU of 7dc6 by Molmil](/molmil-images/mine/7dc6) | Giant panda MHC class I complexes | Descriptor: | Beta-2-microglobulin, CCV-NGY9 peptide from Spike protein, MHC class I antigen | Authors: | Yuan, H, Xia, C. | Deposit date: | 2020-10-23 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal structure of the giant panda MHC class I complex: First insights into the viral peptide presentation profile in the bear family. Protein Sci., 29, 2020
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6FMV
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![BU of 6fmv by Molmil](/molmil-images/mine/6fmv) | IMISX-EP of Hg-BacA soaking SIRAS | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FMW
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![BU of 6fmw by Molmil](/molmil-images/mine/6fmw) | IMISX-EP of Hg-BacA cocrystallization | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FMT
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![BU of 6fmt by Molmil](/molmil-images/mine/6fmt) | IMISX-EP of Hg-BacA Soaking SAD | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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3EST
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![BU of 3est by Molmil](/molmil-images/mine/3est) | STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, PORCINE PANCREATIC ELASTASE, SULFATE ION | Authors: | Meyer, E.F, Cole, G, Radhakrishnan, R, Epp, O. | Deposit date: | 1987-09-17 | Release date: | 1988-01-16 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of native porcine pancreatic elastase at 1.65 A resolutions. Acta Crystallogr.,Sect.B, 44, 1988
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1FAN
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![BU of 1fan by Molmil](/molmil-images/mine/1fan) | CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR | Authors: | Danishefsky, A.T, Wlodawer, A, Kim, K.-S, Tao, F, Woodward, C. | Deposit date: | 1992-08-21 | Release date: | 1993-10-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A. Protein Sci., 2, 1993
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1XH1
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![BU of 1xh1 by Molmil](/molmil-images/mine/1xh1) | Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, pancreatic, ... | Authors: | Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-17 | Release date: | 2005-05-24 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase PROTEIN SCI., 14, 2005
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1XGZ
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![BU of 1xgz by Molmil](/molmil-images/mine/1xgz) | Structure of the N298S variant of human pancreatic alpha-amylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, pancreatic, ... | Authors: | Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-17 | Release date: | 2005-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase PROTEIN SCI., 14, 2005
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1XH0
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![BU of 1xh0 by Molmil](/molmil-images/mine/1xh0) | Structure of the N298S variant of human pancreatic alpha-amylase complexed with acarbose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED HEXASACCHARIDE, Alpha-amylase, ... | Authors: | Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-17 | Release date: | 2005-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase PROTEIN SCI., 14, 2005
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1XH2
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![BU of 1xh2 by Molmil](/molmil-images/mine/1xh2) | Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride and acarbose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, Alpha-amylase, ... | Authors: | Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-17 | Release date: | 2005-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase PROTEIN SCI., 14, 2005
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3IRM
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![BU of 3irm by Molmil](/molmil-images/mine/3irm) | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH Cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, ACETATE ION, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2009-08-24 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase To be Published
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4XC9
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![BU of 4xc9 by Molmil](/molmil-images/mine/4xc9) | Crystal Structure of apo HygX from Streptomyces hygroscopicus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, oxidase/hydroxylase | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-17 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XG1
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![BU of 4xg1 by Molmil](/molmil-images/mine/4xg1) | Psychromonas ingrahamii diaminopimelate decarboxylase with LLP | Descriptor: | (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid, Diaminopimelate decarboxylase, POTASSIUM ION, ... | Authors: | Peverelli, M.G, Wubben, J.M, Panjikar, S, Perugini, M.A. | Deposit date: | 2014-12-30 | Release date: | 2016-03-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Expression to crystallization of diaminopimelate decarboxylase from the psychrophile Psychromonas ingrahamii To Be Published
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5UAB
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![BU of 5uab by Molmil](/molmil-images/mine/5uab) | |
3IRN
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![BU of 3irn by Molmil](/molmil-images/mine/3irn) | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2009-08-24 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase To be Published
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