4IZ7
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4J2H
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![BU of 4j2h by Molmil](/molmil-images/mine/4j2h) | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708) | Descriptor: | 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SODIUM ION, ... | Authors: | Sampathkumar, P, Gizzi, A, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Stead, M, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-04 | Release date: | 2013-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708) to be published
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4IVH
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![BU of 4ivh by Molmil](/molmil-images/mine/4ivh) | Crystal structure of QKLVFFAED nonapeptide segment from amyloid beta incorporated into a macrocyclic beta-sheet template | Descriptor: | SODIUM ION, TERTIARY-BUTYL ALCOHOL, cyclo[Gln-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-(delta-linked-Orn)-Hao-Lys-Hao-(p-bromoPhe)-Thr-(delta-linked-Orn)] | Authors: | Pham, J.D, Chim, N, Goulding, C.W, Nowick, J.S. | Deposit date: | 2013-01-22 | Release date: | 2013-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structures of beta-Amyloid Peptide Oligomers J.Am.Chem.Soc., 2013
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4JB3
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![BU of 4jb3 by Molmil](/molmil-images/mine/4jb3) | Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop | Descriptor: | GLYCEROL, Haloacid dehalogenase-like hydrolase, SODIUM ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Kumar, P.R, Ghosh, A, Al Obaidi, N.F, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-02-19 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of bt_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop To be Published
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4JCI
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![BU of 4jci by Molmil](/molmil-images/mine/4jci) | Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), SPACE GROUP P212121, unliganded | Descriptor: | Proline racemase, SODIUM ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-02-21 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), space group P212121, unliganded To be Published
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4JD5
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![BU of 4jd5 by Molmil](/molmil-images/mine/4jd5) | Crystal Structure of Benzoylformate Decarboxylase Mutant L403E | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | Deposit date: | 2013-02-23 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate. Biochemistry, 52, 2013
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4JG6
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![BU of 4jg6 by Molmil](/molmil-images/mine/4jg6) | RSK2 CTD bound to 2-cyano-3-(1H-indazol-5-yl)acrylamide | Descriptor: | (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION | Authors: | Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J. | Deposit date: | 2013-02-28 | Release date: | 2013-04-10 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Electrophilic fragment-based design of reversible covalent kinase inhibitors. J.Am.Chem.Soc., 135, 2013
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4JHI
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![BU of 4jhi by Molmil](/molmil-images/mine/4jhi) | Crystal Structure of Medicago truncatula Nodulin 13 (MtN13) in complex with N6-benzyladenine | Descriptor: | MtN13 protein, N-BENZYL-9H-PURIN-6-AMINE, SODIUM ION | Authors: | Ruszkowski, M, Sikorski, M, Jaskolski, M. | Deposit date: | 2013-03-05 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The landscape of cytokinin binding by a plant nodulin. Acta Crystallogr.,Sect.D, 69, 2013
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1PA6
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4IMZ
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![BU of 4imz by Molmil](/molmil-images/mine/4imz) | Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus | Descriptor: | Genome polyprotein, SODIUM ION, THIOCYANATE ION, ... | Authors: | Prasad, B.V.V, Muhaxhiri, Z, Deng, L, Shanker, S, Sankaran, B, Estes, M.K, Palzkill, T, Song, Y. | Deposit date: | 2013-01-03 | Release date: | 2013-02-20 | Last modified: | 2013-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of substrate specificity and protease inhibition in norwalk virus. J.Virol., 87, 2013
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4IIC
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![BU of 4iic by Molmil](/molmil-images/mine/4iic) | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with isofagomine | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | Deposit date: | 2012-12-20 | Release date: | 2013-04-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus Biochem.J., 452, 2013
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1GVH
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![BU of 1gvh by Molmil](/molmil-images/mine/1gvh) | The X-ray structure of ferric Escherichia coli flavohemoglobin reveals an unespected geometry of the distal heme pocket | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, FLAVOHEMOPROTEIN, ... | Authors: | Ilari, A, Johnson, K.A, Bonamore, A, Farina, A, Boffi, A. | Deposit date: | 2002-02-13 | Release date: | 2002-08-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The X-Ray Structure of Ferric Escherichia Coli Flavohemoglobin Reveals an Unexpected Geometry of the Distal Heme Pocket J.Biol.Chem., 277, 2002
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1QHU
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![BU of 1qhu by Molmil](/molmil-images/mine/1qhu) | MAMMALIAN BLOOD SERUM HAEMOPEXIN DEGLYCOSYLATED AND IN COMPLEX WITH ITS LIGAND HAEM | Descriptor: | CHLORIDE ION, PHOSPHATE ION, PROTEIN (HEMOPEXIN), ... | Authors: | Paoli, M, Baker, H.M, Morgan, W.T, Smith, A, Baker, E.N. | Deposit date: | 1999-05-27 | Release date: | 1999-10-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of hemopexin reveals a novel high-affinity heme site formed between two beta-propeller domains. Nat.Struct.Biol., 6, 1999
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4IIE
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![BU of 4iie by Molmil](/molmil-images/mine/4iie) | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with calystegine B(2) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | Deposit date: | 2012-12-20 | Release date: | 2013-04-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus Biochem.J., 452, 2013
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4JN6
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![BU of 4jn6 by Molmil](/molmil-images/mine/4jn6) | Crystal Structure of the Aldolase-Dehydrogenase Complex from Mycobacterium tuberculosis HRv37 | Descriptor: | 4-hydroxy-2-oxovalerate aldolase, Acetaldehyde dehydrogenase, MANGANESE (II) ION, ... | Authors: | Carere, J, McKenna, S.E, Kimber, M.S, Seah, S.Y.K. | Deposit date: | 2013-03-14 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Characterization of an Aldolase-Dehydrogenase Complex from the Cholesterol Degradation Pathway of Mycobacterium tuberculosis. Biochemistry, 52, 2013
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4JTJ
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![BU of 4jtj by Molmil](/molmil-images/mine/4jtj) | Crystal structure of R117K mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, SODIUM ION | Authors: | Allison, T.M, Cochrane, F.C, Jameson, G.B, Parker, E.J. | Deposit date: | 2013-03-23 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Examining the Role of Intersubunit Contacts in Catalysis by 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthase. Biochemistry, 52, 2013
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7WXS
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![BU of 7wxs by Molmil](/molmil-images/mine/7wxs) | Lysozyme protected by polyacrylamide gel | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | Muroyama, H, Tomoike, F, Nagae, T, Okada, T. | Deposit date: | 2022-02-15 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Post-crystallization protection of protein crystals by polyacrylamide To Be Published
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4GBT
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![BU of 4gbt by Molmil](/molmil-images/mine/4gbt) | Structural characterization of H-1 Parvovirus: comparison of infectious virions to replication defective particles | Descriptor: | CHLORIDE ION, Capsid protein VP1, SODIUM ION | Authors: | Halder, S, Nam, H.-J, Govindasamy, L, Vogel, M, Dinsart, C, Salome, N, McKenna, R, Agbandje-McKenna, M. | Deposit date: | 2012-07-27 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural characterization of h-1 parvovirus: comparison of infectious virions to empty capsids. J.Virol., 87, 2013
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4GM0
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![BU of 4gm0 by Molmil](/molmil-images/mine/4gm0) | Crystal Structure of Benzoylformate Decarboxylase Mutant L403N | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | Deposit date: | 2012-08-15 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate. Biochemistry, 52, 2013
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4JQA
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![BU of 4jqa by Molmil](/molmil-images/mine/4jqa) | AKR1C2 complex with mefenamic acid | Descriptor: | 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C2, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-20 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published
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4JES
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![BU of 4jes by Molmil](/molmil-images/mine/4jes) | 1.6A resolution Apo structure of the hemophore HasA from Yersinia pestis (Hexagonal Form) | Descriptor: | HEXAETHYLENE GLYCOL, Hemophore HasA, MALONATE ION, ... | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Rivera, M. | Deposit date: | 2013-02-27 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change. Biochemistry, 52, 2013
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4IS9
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![BU of 4is9 by Molmil](/molmil-images/mine/4is9) | Crystal Structure of the Escherichia coli LpxC/L-161,240 complex | Descriptor: | (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ... | Authors: | Lee, C.-J, Zhou, P. | Deposit date: | 2013-01-16 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC. Acs Chem.Biol., 9, 2014
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4IQU
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![BU of 4iqu by Molmil](/molmil-images/mine/4iqu) | Tdt core in complex with inhibitor (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid | Descriptor: | (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, DNA nucleotidylexotransferase, SODIUM ION | Authors: | Gouge, J, Delarue, M. | Deposit date: | 2013-01-13 | Release date: | 2013-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target. J.Med.Chem., 56, 2013
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4IQV
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![BU of 4iqv by Molmil](/molmil-images/mine/4iqv) | Tdt core in complex with inhibitor 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid and ssDNA | Descriptor: | 5'-D(*GP*CP*CP*G)-3', 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, DNA nucleotidylexotransferase, ... | Authors: | Gouge, J, Delarue, M. | Deposit date: | 2013-01-13 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target. J.Med.Chem., 56, 2013
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4IQW
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![BU of 4iqw by Molmil](/molmil-images/mine/4iqw) | Tdt core in complex with inhibitor (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid and ssDNA | Descriptor: | (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, 5'-D(*GP*CP*CP*G)-3', DNA nucleotidylexotransferase, ... | Authors: | Gouge, J, Delarue, M. | Deposit date: | 2013-01-13 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target. J.Med.Chem., 56, 2013
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