2OV1
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2OV3
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6MV8
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![BU of 6mv8 by Molmil](/molmil-images/mine/6mv8) | LDHA structure in complex with inhibitor 14 | Descriptor: | (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C.E, Ultsch, M, Wei, B. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based Optimization of Potent, Cell-Active
Hydroxylactam Inhibitors of Lactate Dehydrogenase To Be Published
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6MVA
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![BU of 6mva by Molmil](/molmil-images/mine/6mva) | LDHA structure in complex with inhibitor 14 | Descriptor: | (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C.E, Ultsch, M, Wei, B. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-based Optimization of Potent, Cell-Active
Hydroxylactam Inhibitors of Lactate Dehydrogenase To Be Published
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1PQ4
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![BU of 1pq4 by Molmil](/molmil-images/mine/1pq4) | Crystal structure of ZnuA | Descriptor: | ZINC ION, periplasmic binding protein component of an ABC type zinc uptake transporter | Authors: | Banerjee, S, Wei, B, Bhattacharyya-Pakrasi, M, Pakrasi, H.B, Smith, T.J. | Deposit date: | 2003-06-17 | Release date: | 2003-11-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Determinants of Metal Specificity in the Zinc Transport Protein ZnuA from Synechocystis 6803. J.Mol.Biol., 333, 2003
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4WG1
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![BU of 4wg1 by Molmil](/molmil-images/mine/4wg1) | Room temperature crystal structure of lysozyme determined by serial synchrotron crystallography (micro focused beam - crystFEL) | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weimhausen, B, Sauter, N.K, Burghammer, M, Colletier, J.P. | Deposit date: | 2014-09-17 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams. Acta Crystallogr.,Sect.D, 71, 2015
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4WG7
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![BU of 4wg7 by Molmil](/molmil-images/mine/4wg7) | Room-temperature crystal structure of lysozyme determined by serial synchrotron crystallography using a nano focused beam. | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Coquelle, N, Brewster, A.S, Kappe, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P. | Deposit date: | 2014-09-18 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams. Acta Crystallogr.,Sect.D, 71, 2015
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4WL6
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![BU of 4wl6 by Molmil](/molmil-images/mine/4wl6) | Raster-scanning protein crystallography using micro and nano-focused synchrotron beams | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Coquelle, N, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P. | Deposit date: | 2014-10-06 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams. Acta Crystallogr.,Sect.D, 71, 2015
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4WL7
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![BU of 4wl7 by Molmil](/molmil-images/mine/4wl7) | Room-temperature crystal structure of lysozyme determined by serial synchrotron crystallography using a micro focused beam (Conventional resolution cut-off) | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P. | Deposit date: | 2014-10-06 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams. Acta Crystallogr.,Sect.D, 71, 2015
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5CGN
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![BU of 5cgn by Molmil](/molmil-images/mine/5cgn) | Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 8 | Descriptor: | CHLORIDE ION, D-Ala-Magainin Derivative, L-ACPC8-Ala-Magainin | Authors: | Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H. | Deposit date: | 2015-07-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif. J.Am.Chem.Soc., 137, 2015
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5CGO
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![BU of 5cgo by Molmil](/molmil-images/mine/5cgo) | Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 13 | Descriptor: | ACPC-13 derivative of Ala-Magainin 2, D-Ala-Magainin 2 | Authors: | Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H. | Deposit date: | 2015-07-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif. J.Am.Chem.Soc., 137, 2015
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4MGP
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![BU of 4mgp by Molmil](/molmil-images/mine/4mgp) | Structure of racemic Ala-(8,13,18) Magainin 2 | Descriptor: | Magainin 2 Derivative | Authors: | Hayouka, Z, Mortenson, D.E, Kreitler, D.F, Weisblum, B, Gellman, S.H, Forest, K.T. | Deposit date: | 2013-08-28 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Evidence for Phenylalanine Zipper-Mediated Dimerization in the X-ray Crystal Structure of a Magainin 2 Analogue. J.Am.Chem.Soc., 135, 2013
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6AY2
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![BU of 6ay2 by Molmil](/molmil-images/mine/6ay2) | Structure of CathB with covalently linked Compound 28 | Descriptor: | Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide | Authors: | Kiefer, J.R, Steinbacher, S. | Deposit date: | 2017-09-07 | Release date: | 2017-12-27 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity. J. Med. Chem., 61, 2018
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6BB1
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![BU of 6bb1 by Molmil](/molmil-images/mine/6bb1) | Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | Descriptor: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2017-10-16 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
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6BB2
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![BU of 6bb2 by Molmil](/molmil-images/mine/6bb2) | Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | Descriptor: | (2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2017-10-16 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
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6BAG
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![BU of 6bag by Molmil](/molmil-images/mine/6bag) | Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | Descriptor: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2017-10-12 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
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6BAZ
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![BU of 6baz by Molmil](/molmil-images/mine/6baz) | Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | Descriptor: | (3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2017-10-16 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
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6BB0
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6BAD
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6BAX
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7WID
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![BU of 7wid by Molmil](/molmil-images/mine/7wid) | Crystal structure of Staphylococcus aureus ClpP in complex with ZG180 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ... | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | Deposit date: | 2022-01-03 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP. Nat Commun, 13, 2022
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7WH5
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![BU of 7wh5 by Molmil](/molmil-images/mine/7wh5) | Crystal structure of human ClpP in complex with ZG180 | Descriptor: | (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | Deposit date: | 2021-12-29 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP. Nat Commun, 13, 2022
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7XBZ
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![BU of 7xbz by Molmil](/molmil-images/mine/7xbz) | Crystal structure of Staphylococcus aureus ClpP in complex with R-ZG197 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-[(1R)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ... | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | Deposit date: | 2022-03-22 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP. Nat Commun, 13, 2022
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7WGS
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![BU of 7wgs by Molmil](/molmil-images/mine/7wgs) | Structure of ClpP from Staphylococcus aureus in complex with (S)-ZG197 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2R)-butan-2-yl]-8-[(1S)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit | Authors: | Yang, C.-G, Gan, J.H. | Deposit date: | 2021-12-28 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP. Nat Commun, 13, 2022
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6CQF
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![BU of 6cqf by Molmil](/molmil-images/mine/6cqf) | Crystal structure of HPK1 in complex an inhibitor G1858 | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine | Authors: | Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W. | Deposit date: | 2018-03-15 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
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